UCSF

ZINC42867630

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) 0.67 2.33 -31.36 3 3 1 44 212.342 3
Mid Mid (pH 6-8) 0.67 3.86 -112.55 4 3 2 45 213.35 3
Mid Mid (pH 6-8) 0.67 3.61 -28.91 3 3 1 43 212.342 3

Activity (Go SEA)

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