UCSF

ZINC55393293

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 24 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) 3.08 8.29 -15.3 1 4 0 55 319.408 4
Lo Low (pH 4.5-6) 3.08 8.75 -46.36 2 4 1 56 320.416 4

Activity (Go SEA)

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