UCSF

ZINC04543524

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 26 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) 2.82 8.77 -10.32 3 9 0 105 360.418 8
Lo Low (pH 4.5-6) 2.82 9.28 -29.73 4 9 1 106 361.426 8
Lo Low (pH 4.5-6) 2.82 9.11 -30.09 4 9 1 106 361.426 8

Activity (Go SEA)

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