UCSF

ZINC19901062

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) 3.49 6.37 -41.05 2 3 1 29 279.448 8
Mid Mid (pH 6-8) 3.49 7.36 -33.04 2 3 1 26 279.448 8
Lo Low (pH 4.5-6) 3.49 8.44 -115.56 3 3 2 30 280.456 8

Activity (Go SEA)

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