UCSF

ZINC32622228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 34 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) 3.84 9 -11.65 0 7 0 72 462.546 6
Mid Mid (pH 6-8) 3.84 11.33 -46.52 1 7 1 73 463.554 6

Activity (Go SEA)

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