UCSF

ZINC09428730

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 29 No

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) 2.88 7.81 -57.77 1 6 -1 90 432.283 6
Mid Mid (pH 6-8) 3.33 6.38 -35.05 2 6 0 87 433.291 5

Activity (Go SEA)

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