UCSF

ZINC43704659

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 17 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 -0.25 -50.05 1 7 -1 91 245.255 6
Mid Mid (pH 6-8) -0.99 1.95 -49.54 2 7 0 92 246.263 6

Activity (Go SEA)

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