UCSF

ZINC20538882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 3.35 8.18 -36.83 1 3 1 17 283.823 5
Mid Mid (pH 6-8) 3.35 5.83 -2.87 0 3 0 16 282.815 5

Activity (Go SEA)

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