UCSF

ZINC08996821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 39 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) 4.08 10.35 -61.84 0 8 -1 95 529.613 10
Mid Mid (pH 6-8) 3.50 12.86 -49.87 1 8 1 90 531.629 10
Mid Mid (pH 6-8) 4.08 12.48 -48.04 2 8 1 94 531.629 10
Mid Mid (pH 6-8) 4.08 12.68 -81.05 1 8 0 96 530.621 10

Activity (Go SEA)

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