UCSF

ZINC53661019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 18 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) 1.02 5.31 -98.08 3 4 2 40 258.406 7
Hi High (pH 8-9.5) 1.02 3.96 -36.72 2 4 1 35 257.398 7
Hi High (pH 8-9.5) 1.02 3.17 -38.83 2 4 1 38 257.398 7

Activity (Go SEA)

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