UCSF

ZINC42476921

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.04 3.96 -42.05 3 3 1 48 211.329 1
Hi High (pH 8-9.5) 1.04 3.6 -7.3 2 3 0 46 210.321 1

Activity (Go SEA)

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