UCSF

ZINC37782896

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 2.84 7.54 -32.28 2 3 1 37 287.836 5
Mid Mid (pH 6-8) 2.84 6.53 -7.86 1 3 0 32 286.828 5

Activity (Go SEA)

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