UCSF

ZINC42456661

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 3.13 5.9 -39.42 3 2 1 31 273.803 6
Mid Mid (pH 6-8) 3.13 7.55 -104.13 4 2 2 32 274.811 6

Activity (Go SEA)

Rings

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