UCSF

ZINC37856189

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 0.94 2.78 -39.67 4 3 1 60 209.244 4
Mid Mid (pH 6-8) 0.94 1.84 -9.06 3 3 0 55 208.236 4

Activity (Go SEA)

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