UCSF

ZINC36626349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) 0.77 0.22 -18.4 1 9 0 117 373.412 6
Mid Mid (pH 6-8) 0.84 -1.44 -44.53 0 9 -1 123 372.404 6

Activity (Go SEA)

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