UCSF

ZINC33701603

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 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) 5.17 15.51 -67.47 1 5 0 65 448.607 10
Lo Low (pH 4.5-6) 5.17 14.21 -48.1 2 5 1 62 449.615 10

Activity (Go SEA)

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