UCSF

ZINC01185329

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 30 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) 5.35 10.4 -14.65 2 6 0 84 419.868 5
Hi High (pH 8-9.5) 5.35 11.4 -57.51 1 6 -1 87 418.86 5
Mid Mid (pH 6-8) 5.35 11.24 -61.69 1 6 -1 87 418.86 5

Activity (Go SEA)

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