UCSF

ZINC33814074

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 5.26 14.83 -61.22 0 7 -1 91 493.568 4
Lo Low (pH 4.5-6) 5.26 13.53 -22.45 1 7 0 88 494.576 4

Activity (Go SEA)

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