UCSF

ZINC44290719

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) -1.01 0.6 -53.67 2 5 1 71 235.329 4
Hi High (pH 8-9.5) -1.01 -0.77 -17.09 1 5 0 66 234.321 4

Activity (Go SEA)

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