UCSF

ZINC45649549

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 0.34 1.57 -14.02 1 7 0 97 308.381 7
Mid Mid (pH 6-8) 0.80 -0.63 -42.99 0 7 -1 100 307.373 7

Activity (Go SEA)

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