UCSF

ZINC37845888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 3.23 10.08 -40.51 1 4 1 30 357.316 5
Mid Mid (pH 6-8) 3.23 8.15 -5.88 0 4 0 28 356.308 5

Activity (Go SEA)

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