UCSF

ZINC44658772

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 0.51 3.98 -42.83 2 4 1 52 190.263 9
Mid Mid (pH 6-8) 0.51 2.64 -5.95 1 4 0 48 189.255 9

Activity (Go SEA)

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