UCSF

ZINC04756650

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 17 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) 0.68 -5.03 -13.82 2 5 0 75 254.311 4
Hi High (pH 8-9.5) 0.68 -4.6 -48.24 1 5 -1 77 253.303 4

Activity (Go SEA)

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