UCSF

ZINC37859354

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 1.62 1.84 -12.95 2 6 0 82 327.431 6
Mid Mid (pH 6-8) 2.08 -0.46 -44.02 1 6 -1 85 326.423 6

Activity (Go SEA)

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