UCSF

ZINC12521545

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 36 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) 3.31 10.3 -23 1 8 0 94 484.556 9
Lo Low (pH 4.5-6) 3.31 10.75 -58.47 2 8 1 95 485.564 9

Activity (Go SEA)

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