UCSF

ZINC10019775

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 21 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) 2.89 -2.2 -10.68 1 4 0 47 306.431 8
Mid Mid (pH 6-8) 2.89 -1.95 -27.84 2 4 1 48 307.439 8

Activity (Go SEA)

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