UCSF

ZINC34463252

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 10 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) -0.29 2.69 -8.65 0 3 0 37 141.17 1
Mid Mid (pH 6-8) 0.30 1.61 -41.55 0 3 -1 43 140.162 0

Activity (Go SEA)

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