UCSF

ZINC22929382

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 4.21 9.41 -42.56 2 2 1 20 297.466 5
Hi High (pH 8-9.5) 4.21 8.06 -3.16 1 2 0 15 296.458 5

Activity (Go SEA)

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