UCSF

ZINC43895275

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.27 7.61 -101.8 3 2 2 21 216.413 6
Hi High (pH 8-9.5) 3.27 7.46 -34.74 2 2 1 20 215.405 6
Mid Mid (pH 6-8) 3.27 6.35 -27.54 2 2 1 16 215.405 6

Activity (Go SEA)

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