UCSF

ZINC34836863

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 5.64 17.63 -111.46 2 5 2 30 482.116 10
Mid Mid (pH 6-8) 5.64 15.93 -40.34 1 5 1 29 481.108 10
Lo Low (pH 4.5-6) 5.64 17.99 -194.34 3 5 3 31 483.124 10

Activity (Go SEA)

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