UCSF

ZINC53126001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.77 4.41 -41.16 3 3 1 61 225.356 5
Mid Mid (pH 6-8) 1.77 3.64 -5.43 2 3 0 56 224.348 5

Activity (Go SEA)

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