UCSF

ZINC32787267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 25 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) 3.73 8.45 -15.78 1 4 0 50 335.403 6
Mid Mid (pH 6-8) 3.73 9.12 -59.27 0 4 -1 53 334.395 6

Activity (Go SEA)

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