UCSF

ZINC21982575

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 2.76 5.3 -55.88 3 5 1 64 301.366 7
Hi High (pH 8-9.5) 2.76 3.91 -16.49 2 5 0 60 300.358 7

Activity (Go SEA)

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