UCSF

ZINC19942869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 2.28 7.71 -37.11 2 3 1 40 246.378 8
Mid Mid (pH 6-8) 2.28 6.64 -51.39 2 3 1 44 246.378 8

Activity (Go SEA)

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