UCSF

ZINC22930048

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 No

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) 0.57 8.22 -50.29 1 6 1 48 395.524 5
Hi High (pH 8-9.5) 0.57 5.99 -19.48 0 6 0 47 394.516 5
Hi High (pH 8-9.5) 0.57 8.21 -54.38 1 6 1 48 395.524 5

Activity (Go SEA)

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