UCSF

ZINC39853875

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 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) 4.89 9.06 -14.49 1 5 0 64 338.407 7
Hi High (pH 8-9.5) 4.89 10.2 -65.87 0 5 -1 67 337.399 7
Hi High (pH 8-9.5) 4.89 9.37 -58.41 0 5 -1 67 337.399 7

Activity (Go SEA)

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