UCSF

ZINC39030037

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.31 11.15 -5.29 0 2 0 25 358.872 3
Lo Low (pH 4.5-6) 6.31 11.11 -27.79 1 2 1 26 359.88 3
Lo Low (pH 4.5-6) 6.31 12.01 -29.19 1 2 1 26 359.88 3

Activity (Go SEA)

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