UCSF

ZINC53129453

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 Yes

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) -0.31 0.6 -54.85 3 5 1 79 205.241 4
Lo Low (pH 4.5-6) -0.31 1.06 -97.32 4 5 2 81 206.249 4

Activity (Go SEA)

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