UCSF

ZINC37508707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 17 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) 1.07 2.52 -8.3 2 5 0 67 260.359 6
Mid Mid (pH 6-8) 1.07 4 -41.22 3 5 1 72 261.367 6

Activity (Go SEA)

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