UCSF

ZINC37805234

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.14 4.56 -11.46 2 5 0 67 287.363 3
Mid Mid (pH 6-8) -1.14 4.89 -49.96 3 5 1 68 288.371 3

Activity (Go SEA)

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