UCSF

ZINC45664625

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.64 0.12 -13.31 3 7 0 110 302.352 7
Hi High (pH 8-9.5) 0.64 0.9 -43.96 2 7 -1 113 301.344 7

Activity (Go SEA)

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