UCSF

ZINC37101778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.17 5.02 -45.17 1 4 -1 60 313.418 4
Lo Low (pH 4.5-6) 4.17 4.53 -51.44 2 4 0 65 314.426 4
Lo Low (pH 4.5-6) 4.17 5.07 -8.49 2 4 0 58 314.426 4

Activity (Go SEA)

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