UCSF

ZINC52511331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 13 Yes

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) 1.31 2.85 -38.19 2 3 1 29 189.323 7
Hi High (pH 8-9.5) 1.31 3.24 -27.36 2 3 1 26 189.323 7
Hi High (pH 8-9.5) 1.31 1.83 -1.62 1 3 0 24 188.315 7

Activity (Go SEA)

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