UCSF

ZINC28708059

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 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) 3.65 13.95 -22.31 4 10 0 139 448.494 5
Lo Low (pH 4.5-6) 3.65 14.42 -49.64 5 10 1 141 449.502 5

Activity (Go SEA)

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