UCSF

ZINC43242337

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.91 8.5 -27.98 3 2 1 30 307.508 6
Mid Mid (pH 6-8) 2.91 8.79 -121.62 4 2 2 32 308.516 6
Mid Mid (pH 6-8) 2.91 6.84 -47.36 3 2 1 31 307.508 6

Activity (Go SEA)

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