UCSF

ZINC16956597

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 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) 0.93 4.29 -35.57 2 8 0 110 340.434 7
Hi High (pH 8-9.5) 1.12 3.21 -58.08 1 8 -1 116 339.426 7
Mid Mid (pH 6-8) 1.30 1.67 -97 0 8 -2 122 338.418 7

Activity (Go SEA)

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