UCSF

ZINC19933892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 15 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) 1.50 5.29 -42.41 1 3 1 31 222.337 2
Mid Mid (pH 6-8) 1.50 2.82 -5.63 0 3 0 30 221.329 2

Activity (Go SEA)

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