UCSF

ZINC65536002

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: N-cycloheptyl-3-nitro-4-methoxybenzamide N-cycloheptyl-3-nitro-4-methoxyb…

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Other Names:

MFCD01216444

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) 2.95 7.18 -38.01 3 5 1 64 302.398 5 ↓
Hi High (pH 8-9.5) 2.95 5.86 -7.98 2 5 0 59 301.39 5 ↓
Lo Low (pH 4.5-6) 2.95 7.61 -102.88 4 5 2 65 303.406 5 ↓

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

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