UCSF

ZINC15785469

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 22 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) 2.24 5.72 -13.5 2 5 0 71 310.382 4
Lo Low (pH 4.5-6) 2.24 6.08 -42.37 3 5 1 72 311.39 4

Activity (Go SEA)

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