UCSF

ZINC14109659

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 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) 2.35 7.23 -47.06 2 5 1 50 333.362 3
Mid Mid (pH 6-8) 2.35 4.76 -14.54 1 5 0 48 332.354 3

Activity (Go SEA)

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