UCSF

ZINC22281715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 26 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) 1.26 4.69 -15.84 2 7 0 96 357.41 4
Hi High (pH 8-9.5) 1.44 2.9 -46.58 1 7 -1 102 356.402 4

Activity (Go SEA)

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