UCSF

ZINC20124344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 1.82 2.05 -59.24 4 5 1 76 274.296 4
Hi High (pH 8-9.5) 1.82 0.64 -12.55 3 5 0 71 273.288 4
Hi High (pH 8-9.5) 1.82 2.85 -83.37 3 5 0 78 273.288 4

Activity (Go SEA)

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