UCSF

ZINC59537428

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 1.01 -0.27 -5.55 4 4 0 70 236.315 1
Mid Mid (pH 6-8) 1.01 0.14 -29.8 5 4 1 71 237.323 1

Activity (Go SEA)

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