UCSF

ZINC40493498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 11 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) 0.17 -1.21 -38.92 4 3 1 57 162.253 5
Hi High (pH 8-9.5) 0.17 -2.34 -4.82 3 3 0 52 161.245 5

Activity (Go SEA)

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