UCSF

ZINC20266411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) 2.60 8.85 -66.88 0 4 -1 60 292.33 4
Lo Low (pH 4.5-6) 2.60 7.72 -16.35 1 4 0 58 293.338 4

Activity (Go SEA)

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