UCSF

ZINC52573303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 19 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) 3.49 6.52 -34.19 2 3 1 29 273.485 12
Hi High (pH 8-9.5) 3.49 6.42 -0.59 1 3 0 24 272.477 12
Mid Mid (pH 6-8) 3.49 8.34 -100.66 3 3 2 30 274.493 12

Activity (Go SEA)

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