UCSF

ZINC40504469

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 20 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) 0.85 2.12 -53.44 4 5 1 75 281.376 8
Hi High (pH 8-9.5) 0.85 0.75 -11.33 3 5 0 71 280.368 8

Activity (Go SEA)

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