UCSF

ZINC34698904

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 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) 4.17 12.1 -11.39 0 5 0 46 471.645 9
Mid Mid (pH 6-8) 4.17 13.09 -28.91 1 5 1 47 472.653 9
Mid Mid (pH 6-8) 4.17 14.67 -33.88 1 5 1 47 472.653 9

Activity (Go SEA)

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