UCSF

ZINC09281545

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 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) 2.51 5.31 -15.71 1 8 0 99 379.372 5
Lo Low (pH 4.5-6) 2.96 6.24 -108.34 3 8 2 102 381.388 4

Activity (Go SEA)

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