UCSF

ZINC20551080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 1.30 -0.01 -42.49 4 3 1 57 200.233 4
Mid Mid (pH 6-8) 1.30 0.71 -66.31 3 3 0 60 199.225 4

Activity (Go SEA)

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