UCSF

ZINC24763945

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 26 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) 1.25 6.4 -63.52 4 7 1 94 360.413 5
Hi High (pH 8-9.5) 1.25 4.18 -23.47 3 7 0 93 359.405 5

Activity (Go SEA)

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