UCSF

ZINC32357296

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2009 35 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) 3.44 13.09 -20.5 0 7 0 67 468.557 5
Mid Mid (pH 6-8) 3.44 13.53 -42.76 1 7 1 68 469.565 5

Activity (Go SEA)

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