UCSF

ZINC31959415

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 Yes

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) 0.58 1.76 -52.49 4 4 1 70 212.298 2
Hi High (pH 8-9.5) 0.40 0.98 -44.91 3 4 0 76 211.29 2
Hi High (pH 8-9.5) 1.14 0.9 -8.46 3 4 0 71 211.29 1
Mid Mid (pH 6-8) 0.58 1.37 -9.66 3 4 0 68 211.29 2

Activity (Go SEA)

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