UCSF

ZINC43700154

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 2.5 -35.65 3 5 0 80 204.27 7
Hi High (pH 8-9.5) -2.31 0.53 -45.32 2 5 -1 79 203.262 7
Mid Mid (pH 6-8) -2.31 1.27 -33.78 3 5 0 80 204.27 7
Mid Mid (pH 6-8) -2.31 2.81 -70.94 4 5 1 81 205.278 7

Activity (Go SEA)

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