UCSF

ZINC39203205

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2010 11 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) 1.28 4.13 -30.45 1 2 1 8 157.281 3
Mid Mid (pH 6-8) 1.28 4.39 -32.61 1 2 1 8 157.281 3
Mid Mid (pH 6-8) 1.28 6.62 -101.86 2 2 2 9 158.289 3

Activity (Go SEA)

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