UCSF

ZINC05687071

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 17 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) 2.48 8.79 -9.04 1 5 0 58 231.303 1
Mid Mid (pH 6-8) 2.48 7.71 -40 2 5 1 59 232.311 1

Activity (Go SEA)

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