UCSF

ZINC12217816

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 4.19 -1.87 -19.35 1 7 0 81 449.514 4
Lo Low (pH 4.5-6) 4.19 -1.76 -51.02 2 7 1 83 450.522 4

Activity (Go SEA)

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