UCSF

ZINC38276430

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 13 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) 0.11 3.09 -6.17 3 4 0 64 180.207 5
Lo Low (pH 4.5-6) 0.11 2.88 -48.06 4 4 1 66 181.215 5

Activity (Go SEA)

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