UCSF

ZINC19878549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 4.27 9.77 -42.5 2 1 1 17 262.323 4
Mid Mid (pH 6-8) 4.27 9.01 -3.18 1 1 0 12 261.315 4

Activity (Go SEA)

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