UCSF

ZINC43992883

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 1.55 7.68 -100.5 3 3 2 36 209.337 3
Mid Mid (pH 6-8) 1.55 7.17 -42.32 2 3 1 34 208.329 3

Activity (Go SEA)

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