UCSF

ZINC37096855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 0.87 2.52 -47.22 3 3 1 40 213.345 6
Hi High (pH 8-9.5) 0.86 2.32 -2.28 2 3 0 38 212.337 6
Mid Mid (pH 6-8) 0.87 3.72 -117.14 4 3 2 41 214.353 6
Mid Mid (pH 6-8) 0.87 4.24 -28.25 3 3 1 40 213.345 6

Activity (Go SEA)

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