UCSF

ZINC21324397

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 30 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 8.26 -16.31 1 7 0 85 470.378 9
Mid Mid (pH 6-8) 4.01 9.76 -46.49 1 7 0 89 470.378 9
Mid Mid (pH 6-8) 3.56 10.59 -62.86 2 7 1 86 471.386 9

Activity (Go SEA)

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