UCSF

ZINC05093501

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 26 No

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) 3.15 5.36 -19.03 3 6 0 95 349.321 2
Hi High (pH 8-9.5) 4.06 4.11 -54.04 2 6 -1 101 348.313 2
Hi High (pH 8-9.5) 3.15 6.35 -68.14 2 6 -1 97 348.313 2
Hi High (pH 8-9.5) 2.97 6.46 -58.14 3 6 0 95 349.321 3
Hi High (pH 8-9.5) 3.61 3.45 -53.61 2 6 -1 98 348.313 2
Hi High (pH 8-9.5) 3.61 4.45 -116.31 1 6 -2 100 347.305 2
Hi High (pH 8-9.5) 3.61 3.67 -58.71 2 6 -1 98 348.313 2

Activity (Go SEA)

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