UCSF

ZINC12375711

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 27 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) 3.35 8.5 -39.16 4 6 1 91 405.862 5
Mid Mid (pH 6-8) 3.35 7.52 -20.94 3 6 0 90 404.854 5

Activity (Go SEA)

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