UCSF

ZINC34836905

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) 5.36 17.47 -105.06 2 5 2 30 461.698 10
Mid Mid (pH 6-8) 5.36 16 -34.8 1 5 1 29 460.69 10
Lo Low (pH 4.5-6) 5.36 17.85 -186.84 3 5 3 31 462.706 10

Activity (Go SEA)

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