UCSF

ZINC34202065

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 9 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) 1.97 2.88 -2.28 2 2 0 35 129.203 2
Lo Low (pH 4.5-6) 1.97 2.48 -41.36 3 2 1 37 130.211 2

Activity (Go SEA)

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