UCSF

ZINC21813277

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.89 4.5 -15.97 3 4 0 72 338.479 5
Hi High (pH 8-9.5) 2.89 4.56 -48.08 2 4 -1 74 337.471 5

Activity (Go SEA)

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