UCSF

ZINC17168221

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 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) 2.01 7.45 -13.93 1 5 0 60 340.814 4
Lo Low (pH 4.5-6) 2.01 7.88 -52.41 2 5 1 61 341.822 4

Activity (Go SEA)

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