UCSF

ZINC19901015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.44 8.6 -108.9 3 3 2 30 280.456 8
Mid Mid (pH 6-8) 3.44 7.48 -30.81 2 3 1 26 279.448 8

Activity (Go SEA)

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