UCSF

ZINC20777229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 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) 2.29 8.88 -39.48 1 4 1 28 330.496 4
Lo Low (pH 4.5-6) 2.29 9.06 -39.63 1 4 1 28 330.496 4

Activity (Go SEA)

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