UCSF

ZINC41721156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 3.21 8.81 -89.16 3 3 2 31 271.408 4
Hi High (pH 8-9.5) 3.21 8.38 -46.87 2 3 1 29 270.4 4

Activity (Go SEA)

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