UCSF

ZINC04880093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 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) -0.99 -7.42 -14.9 5 10 0 152 268.233 2
Mid Mid (pH 6-8) -0.99 -6.96 -42.52 6 10 1 154 269.241 2

Activity (Go SEA)

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