UCSF

ZINC37859309

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 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) 0.60 1.38 -45.49 3 6 1 83 306.433 6
Mid Mid (pH 6-8) 1.05 -0.92 -61.18 2 6 0 87 305.425 6

Activity (Go SEA)

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