UCSF

ZINC44387989

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 16 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) -0.19 4.49 -96.59 4 4 2 50 224.352 4
Hi High (pH 8-9.5) -0.19 4.02 -51.72 3 4 1 49 223.344 4
Mid Mid (pH 6-8) -0.19 5.91 -135.56 4 4 2 50 224.352 4
Lo Low (pH 4.5-6) -0.19 6.38 -206.3 5 4 3 51 225.36 4

Activity (Go SEA)

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