UCSF

ZINC36365506

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 2.32 6.87 -14.08 1 7 0 78 379.416 5
Ref Reference (pH 7) 2.14 9.52 -14.1 1 7 0 75 379.416 5
Lo Low (pH 4.5-6) 2.14 9.98 -49.11 2 7 1 76 380.424 5

Activity (Go SEA)

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