UCSF

ZINC12507891

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 22 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) 2.81 3 -16.1 1 5 0 80 380.274 4
Hi High (pH 8-9.5) 2.81 3.09 -47.55 0 5 -1 82 379.266 4

Activity (Go SEA)

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