UCSF

ZINC39769819

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 24 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) 4.55 12.29 -124.6 2 2 2 9 336.47 3
Hi High (pH 8-9.5) 4.55 10.39 -38.93 1 2 1 8 335.462 3
Hi High (pH 8-9.5) 4.55 10.31 -4.25 0 2 0 6 334.454 3

Activity (Go SEA)

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