UCSF

ZINC41652802

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.25 4.08 -117.77 5 3 2 53 285.185 6
Mid Mid (pH 6-8) 1.25 3.7 -36.5 4 3 1 52 284.177 6
Mid Mid (pH 6-8) 1.25 2.7 -43.09 4 3 1 49 284.177 6

Activity (Go SEA)

Rings

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