UCSF

ZINC61645186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 20 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) -1.06 0.69 -108.63 3 7 2 65 307.464 5
Hi High (pH 8-9.5) -1.06 -2.96 -7.85 1 7 0 59 305.448 5
Mid Mid (pH 6-8) -1.06 -0.49 -44.11 2 7 1 60 306.456 5

Activity (Go SEA)

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