UCSF

ZINC37087620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.75 7.39 -52.95 1 4 -1 65 255.297 4
Lo Low (pH 4.5-6) 2.75 7.85 -75.05 2 4 0 66 256.305 4

Activity (Go SEA)

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