UCSF

ZINC03274636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 29 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) 4.10 -7.5 -15.18 2 7 0 105 451.595 6
Hi High (pH 8-9.5) 4.10 -6.92 -47.93 1 7 -1 107 450.587 6
Hi High (pH 8-9.5) 4.10 -6.94 -42.27 1 7 -1 107 450.587 6
Hi High (pH 8-9.5) 4.10 -6.37 -95.09 0 7 -2 109 449.579 6

Activity (Go SEA)

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