UCSF

ZINC19845279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 1.45 3.92 -46.97 1 5 -1 74 255.681 4
Lo Low (pH 4.5-6) 1.45 4.26 -43.19 2 5 0 76 256.689 4

Activity (Go SEA)

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