UCSF

ZINC43710135

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) -1.19 0.07 -53.8 3 7 1 78 285.368 4
Hi High (pH 8-9.5) -1.19 -1.28 -13.47 2 7 0 74 284.36 4
Mid Mid (pH 6-8) -1.19 2.2 -107.85 4 7 2 80 286.376 4

Activity (Go SEA)

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