UCSF

ZINC39211854

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 3.48 9.09 -8.48 1 4 0 62 338.451 6
Hi High (pH 8-9.5) 4.06 8.35 -48.73 1 4 -1 68 337.443 5

Activity (Go SEA)

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