UCSF

ZINC52851294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 3.82 10.58 -9.78 0 4 0 37 322.408 5
Lo Low (pH 4.5-6) 3.82 11.38 -24.19 1 4 0 38 323.416 5

Activity (Go SEA)

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