UCSF

ZINC22758707

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 1.40 3.21 -42.2 0 6 -1 81 338.796 4
Lo Low (pH 4.5-6) 1.40 3.14 -16.06 1 6 0 79 339.804 4

Activity (Go SEA)

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