UCSF

ZINC37326539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 No

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) 2.22 4.98 -12.02 1 5 0 72 305.403 3
Mid Mid (pH 6-8) 2.64 4.83 -9.72 2 5 0 74 305.403 3

Activity (Go SEA)

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