UCSF

ZINC05093033

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 23 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) 2.33 6 -13.06 2 5 0 74 311.316 2
Hi High (pH 8-9.5) 2.78 4.25 -43.43 1 5 -1 77 310.308 2
Hi High (pH 8-9.5) 3.24 4.6 -52.76 1 5 -1 81 310.308 2

Activity (Go SEA)

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