UCSF

ZINC08733483

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 15 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) 1.55 3.53 -6.76 4 5 0 81 207.281 1
Lo Low (pH 4.5-6) 1.55 3.74 -26.77 5 5 1 82 208.289 1
Lo Low (pH 4.5-6) 1.55 4 -93.88 6 5 2 84 209.297 1

Activity (Go SEA)

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