UCSF

ZINC36996644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.75 8.87 -32.4 2 2 1 16 279.835 3
Mid Mid (pH 6-8) 3.75 7.72 -37.81 2 2 1 20 279.835 3
Lo Low (pH 4.5-6) 3.75 9.98 -112.05 3 2 2 21 280.843 3

Activity (Go SEA)

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