UCSF

ZINC42446715

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.14 3.5 -31.35 3 3 1 40 213.345 2
Hi High (pH 8-9.5) 1.14 1.86 -41.31 3 3 1 40 213.345 2
Hi High (pH 8-9.5) 1.14 1.56 -1.66 2 3 0 38 212.337 2
Mid Mid (pH 6-8) 1.14 3.8 -120.22 4 3 2 41 214.353 2

Activity (Go SEA)

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