UCSF

ZINC37787134

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.74 4.64 -46 3 6 1 63 278.38 4
Lo Low (pH 4.5-6) 0.74 4.02 -109.85 4 6 2 68 279.388 4

Activity (Go SEA)

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