UCSF

ZINC42607998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 2.81 7.2 -103.61 3 2 2 21 214.397 6
Hi High (pH 8-9.5) 2.81 3.42 -0.4 1 2 0 15 212.381 6
Hi High (pH 8-9.5) 2.81 5.56 -37.68 2 2 1 20 213.389 6
Mid Mid (pH 6-8) 2.81 5.86 -27.89 2 2 1 16 213.389 6

Activity (Go SEA)

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