UCSF

ZINC37479900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 3.62 8.33 -109.03 3 2 2 21 228.424 7
Mid Mid (pH 6-8) 3.62 6.31 -34.63 2 2 1 20 227.416 7
Mid Mid (pH 6-8) 3.62 7.15 -30.55 2 2 1 16 227.416 7

Activity (Go SEA)

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