UCSF

ZINC37335971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 3.56 9.28 -30.73 1 2 1 22 234.363 6
Hi High (pH 8-9.5) 3.56 7.66 -4.18 0 2 0 20 233.355 6

Activity (Go SEA)

Rings

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