UCSF

ZINC05687848

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 23 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) 0.13 3.55 -55.33 1 6 -1 87 308.317 3
Lo Low (pH 4.5-6) 0.13 3.14 -53.23 3 6 1 85 310.333 3
Lo Low (pH 4.5-6) 0.13 3.98 -65.28 2 6 0 88 309.325 3

Activity (Go SEA)

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