UCSF

ZINC53177159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 23 Yes

Other Names:

MFCD11045876

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) 1.86 5.93 -159.84 3 6 0 87 321.352 3
Hi High (pH 8-9.5) 1.86 4.63 -109.36 2 6 -1 83 320.344 3
Hi High (pH 8-9.5) 1.86 5.6 -174.48 2 6 -1 86 320.344 3

Activity (Go SEA)

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

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