UCSF

ZINC05093481

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 24 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) 2.41 4.95 -17.88 2 6 0 87 316.32 2
Hi High (pH 8-9.5) 3.32 3.46 -63.27 1 6 -1 94 315.312 2
Hi High (pH 8-9.5) 2.87 3.34 -56.45 1 6 -1 90 315.312 2
Hi High (pH 8-9.5) 2.87 3.08 -59.83 1 6 -1 90 315.312 2

Activity (Go SEA)

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