UCSF

ZINC08683951

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 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) 4.94 10.46 -15.24 2 7 0 95 474.586 5
Lo Low (pH 4.5-6) 4.94 10.55 -38.58 3 7 1 96 475.594 5

Activity (Go SEA)

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