UCSF

ZINC20781250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 27 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) 1.17 1.56 -48.99 3 7 1 83 373.477 7
Mid Mid (pH 6-8) 1.17 1.62 -48.66 3 7 1 83 373.477 7
Mid Mid (pH 6-8) 1.17 -0.76 -11.03 2 7 0 82 372.469 7

Activity (Go SEA)

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