UCSF

ZINC20542626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 23 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) 2.58 7.93 -43.62 2 4 1 37 322.517 5
Lo Low (pH 4.5-6) 2.58 7.73 -43.17 2 4 1 37 322.517 5
Lo Low (pH 4.5-6) 2.58 10.07 -108.85 3 4 2 38 323.525 5

Activity (Go SEA)

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