UCSF

ZINC51160444

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 18 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) 2.26 6.01 -7.92 0 5 0 58 250.298 3
Lo Low (pH 4.5-6) 2.26 7.84 -48.38 1 5 1 59 251.306 3

Activity (Go SEA)

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