UCSF

ZINC02396008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 31 No

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) 3.37 9.46 -17.87 3 9 0 125 458.569 10
Lo Low (pH 4.5-6) 3.37 9.88 -43.95 4 9 1 126 459.577 10

Activity (Go SEA)

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