UCSF

ZINC58309357

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 14 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) -0.07 0.64 -8.18 1 4 0 42 198.266 4
Mid Mid (pH 6-8) -0.07 2.91 -40.98 2 4 1 43 199.274 4

Activity (Go SEA)

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