UCSF

ZINC35673749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) -1.39 3.75 -46.8 3 7 0 110 293.323 4
Mid Mid (pH 6-8) -1.39 3.05 -56.88 2 7 -1 109 292.315 4

Activity (Go SEA)

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