UCSF

ZINC22930351

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 2.18 7.44 -45.68 2 6 1 57 393.939 6
Hi High (pH 8-9.5) 2.18 5.22 -15.17 1 6 0 56 392.931 6
Hi High (pH 8-9.5) 2.18 7.44 -43.84 2 6 1 57 393.939 6

Activity (Go SEA)

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