UCSF

ZINC37847082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.52 1.83 -38.85 4 6 1 72 293.391 5
Mid Mid (pH 6-8) 0.52 1.73 -40.76 4 6 1 72 293.391 5
Mid Mid (pH 6-8) 0.52 -0.53 -7.44 3 6 0 71 292.383 5

Activity (Go SEA)

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