UCSF

ZINC22934426

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 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) 2.95 8.62 -39.67 2 6 1 57 387.548 5
Hi High (pH 8-9.5) 2.95 8.63 -42.19 2 6 1 57 387.548 5
Hi High (pH 8-9.5) 2.95 6.39 -13.93 1 6 0 56 386.54 5

Activity (Go SEA)

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