UCSF

ZINC37039031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 2.22 7.41 -113.23 4 4 2 52 285.476 8
Mid Mid (pH 6-8) 2.22 6 -46.99 3 4 1 51 284.468 8

Activity (Go SEA)

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