UCSF

ZINC19901181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 4.28 7.92 -45.14 3 2 1 37 286.439 4
Hi High (pH 8-9.5) 4.28 8.71 -63 2 2 0 40 285.431 4

Activity (Go SEA)

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