UCSF

ZINC71776787

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2011 27 Yes

Popular Name: 4-chloro-2-nitro-N-(1-phenylethyl)benzamide 4-chloro-2-nitro-N-(1-phenylethy…

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Other Names:

MFCD01215358

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 12.96 -37.03 2 5 1 61 361.469 7 ↓
Mid Mid (pH 6-8) 3.42 13.09 -42.73 2 5 1 61 361.469 7 ↓
Mid Mid (pH 6-8) 3.42 12.55 -13.31 1 5 0 60 360.461 7 ↓
Lo Low (pH 4.5-6) 3.42 13.5 -89.72 3 5 2 62 362.477 7 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.