UCSF

ZINC32368904

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2009 28 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) 3.55 8.58 -17.18 0 5 0 42 410.848 6
Mid Mid (pH 6-8) 3.55 10.82 -57.1 1 5 1 43 411.856 6

Activity (Go SEA)

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