UCSF

ZINC37100661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.30 8.12 0.39 2 2 0 16 227.416 4
Mid Mid (pH 6-8) 3.30 5.74 -1.04 2 2 0 20 227.416 4
Lo Low (pH 4.5-6) 3.30 8.15 -41.56 3 2 0 21 228.424 4

Activity (Go SEA)

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