UCSF

ZINC13692492

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 3.46 8.85 -13.62 0 5 0 56 370.408 3
Lo Low (pH 4.5-6) 3.46 12.07 -112.25 2 5 2 58 372.424 3
Lo Low (pH 4.5-6) 3.46 9.31 -43.74 1 5 1 57 371.416 3

Activity (Go SEA)

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