UCSF

ZINC62951145

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 2.23 6.8 -101.19 4 3 2 45 249.402 3
Hi High (pH 8-9.5) 2.23 5.94 -4.64 2 3 0 42 247.386 3
Hi High (pH 8-9.5) 2.23 6.39 -24.3 3 3 1 43 248.394 3
Mid Mid (pH 6-8) 2.23 6.36 -48.85 3 3 1 44 248.394 3

Activity (Go SEA)

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