UCSF

ZINC40479781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 19 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) 0.16 1.62 -37.64 5 5 1 91 262.333 4
Hi High (pH 8-9.5) 0.16 -0.26 -12.46 4 5 0 89 261.325 4

Activity (Go SEA)

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