UCSF

ZINC21801971

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 5.69 10.71 -44.73 3 1 1 28 280.435 3
Hi High (pH 8-9.5) 5.69 10.39 -2.94 2 1 0 26 279.427 3

Activity (Go SEA)

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