UCSF

ZINC52547186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 3.62 7.47 -32.16 2 3 1 29 273.485 10
Hi High (pH 8-9.5) 3.62 6.39 -0.6 1 3 0 24 272.477 10
Mid Mid (pH 6-8) 3.62 7.67 -98.39 3 3 2 30 274.493 10

Activity (Go SEA)

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