UCSF

ZINC20203900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 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) 2.37 7.24 -18.39 0 9 0 92 463.49 7
Lo Low (pH 4.5-6) 2.37 7.68 -48.24 1 9 1 93 464.498 7

Activity (Go SEA)

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