UCSF

ZINC03274059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 30 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) 3.48 -6.91 -19.21 2 8 0 118 443.506 6
Hi High (pH 8-9.5) 3.48 -6.35 -51.09 1 8 -1 120 442.498 6
Hi High (pH 8-9.5) 3.48 -6.33 -53.55 1 8 -1 120 442.498 6
Hi High (pH 8-9.5) 3.48 -5.77 -106.47 0 8 -2 122 441.49 6

Activity (Go SEA)

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