UCSF

ZINC05481448

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 25 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) 5.91 9.41 -51.78 3 4 1 55 341.475 9
Hi High (pH 8-9.5) 5.91 7.83 -6.16 2 4 0 50 340.467 9

Activity (Go SEA)

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