UCSF

ZINC37139071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 5.77 7.97 -40.35 3 2 1 37 305.269 8
Mid Mid (pH 6-8) 5.77 8.72 -27.88 2 2 0 40 304.261 8

Activity (Go SEA)

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