UCSF

ZINC12402798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.81 0.3 -10.17 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.99 0.51 -10.86 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.99 1.54 -10.72 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.81 0.42 -11.4 0 6 0 82 443.546 6

Activity (Go SEA)

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