UCSF

ZINC59231321

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2011 22 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) 2.75 8.24 -30.57 1 5 1 49 308.398 6
Mid Mid (pH 6-8) 2.75 6.24 -10.47 0 5 0 48 307.39 6

Activity (Go SEA)

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