UCSF

ZINC20524009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 1.04 2.71 -38.77 2 4 1 32 268.425 5
Lo Low (pH 4.5-6) 1.04 7.51 -185.76 4 4 3 35 270.441 5
Lo Low (pH 4.5-6) 1.04 5.11 -103.76 3 4 2 34 269.433 5

Activity (Go SEA)

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