UCSF

ZINC33838068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 22 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) 1.92 5.68 -48.88 1 5 -1 74 314.321 2
Lo Low (pH 4.5-6) 1.46 7.69 -11.24 2 5 0 71 315.329 2

Activity (Go SEA)

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