UCSF

ZINC43969637

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.36 6.47 -96.43 3 3 2 30 214.353 6
Hi High (pH 8-9.5) 1.36 4.29 -0.99 1 3 0 24 212.337 6
Hi High (pH 8-9.5) 1.36 4.36 -29.49 2 3 1 29 213.345 6
Mid Mid (pH 6-8) 1.36 5.46 -25.38 2 3 1 26 213.345 6

Activity (Go SEA)

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