UCSF

ZINC43894080

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 1.81 5.27 -35.76 2 3 1 33 236.383 7
Hi High (pH 8-9.5) 1.81 4.33 -3.12 1 3 0 28 235.375 7
Mid Mid (pH 6-8) 1.81 6 -38.04 2 3 1 29 236.383 7

Activity (Go SEA)

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