UCSF

ZINC19878711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 3.66 8.93 -45.56 2 3 1 35 286.395 6
Hi High (pH 8-9.5) 3.66 7.83 -6.6 1 3 0 30 285.387 6

Activity (Go SEA)

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