UCSF

ZINC19440003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 0.62 4.32 -67.38 2 6 -1 99 280.3 6
Hi High (pH 8-9.5) 0.62 5.27 -135.78 1 6 -2 102 279.292 6

Activity (Go SEA)

Rings

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