UCSF

ZINC19999225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 23 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) 0.27 5.83 -57.58 3 6 1 85 316.381 3
Hi High (pH 8-9.5) 0.27 3.63 -16.72 2 6 0 84 315.373 3
Mid Mid (pH 6-8) 0.59 3.81 -52.71 3 6 1 86 316.381 3

Activity (Go SEA)

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