UCSF

ZINC10267000

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 24 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) 2.81 1.42 -15.35 1 5 0 82 339.42 5
Lo Low (pH 4.5-6) 2.81 1.54 -43.64 2 5 1 84 340.428 5

Activity (Go SEA)

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