UCSF

ZINC19439576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) -2.37 0.25 -102.92 1 8 -2 129 251.198 2
Mid Mid (pH 6-8) -2.82 0.98 -56.78 2 8 -1 126 252.206 2

Activity (Go SEA)

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