UCSF

ZINC20763802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 24 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) 2.53 9.69 -45.14 1 4 1 42 323.416 6
Hi High (pH 8-9.5) 2.53 7.46 -13.52 0 4 0 41 322.408 6

Activity (Go SEA)

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