UCSF

ZINC37236524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 3.51 3.9 -5.65 2 2 0 32 287.837 6
Mid Mid (pH 6-8) 3.51 5.09 -39.87 3 2 1 37 288.845 6

Activity (Go SEA)

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