UCSF

ZINC20253768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 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) -0.31 2.94 -8.95 0 4 0 38 193.25 2
Mid Mid (pH 6-8) -0.31 5.21 -48.08 1 4 1 39 194.258 2

Activity (Go SEA)

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