UCSF

ZINC42913903

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 0.90 2.04 -41.65 4 4 1 60 254.329 5
Mid Mid (pH 6-8) 0.90 3.42 -124.07 5 4 2 61 255.337 5

Activity (Go SEA)

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