UCSF

ZINC12564172

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 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) 0.82 8.76 -40.03 1 4 1 35 203.269 2
Mid Mid (pH 6-8) 0.82 9.22 -94.93 2 4 2 36 204.277 2

Activity (Go SEA)

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