UCSF

ZINC05136854

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 26 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) 2.72 -6.94 -16.71 1 7 0 92 396.49 5
Hi High (pH 8-9.5) 2.72 -6.36 -50.29 0 7 -1 94 395.482 5

Activity (Go SEA)

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