UCSF

ZINC43700155

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) -2.31 2.31 -41.55 3 5 0 80 204.27 7
Hi High (pH 8-9.5) -2.31 0.98 -43.92 2 5 -1 79 203.262 7
Mid Mid (pH 6-8) -2.31 1.42 -33.07 3 5 0 80 204.27 7
Mid Mid (pH 6-8) -2.31 2.68 -71.06 4 5 1 81 205.278 7

Activity (Go SEA)

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