UCSF

ZINC35567517

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 36 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) 3.38 11.48 -57.98 0 7 -1 95 496.568 7
Lo Low (pH 4.5-6) 3.38 10.73 -14.24 1 7 0 93 497.576 7

Activity (Go SEA)

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