UCSF

ZINC20055562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 10 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) -0.09 0.83 -8.48 1 3 0 45 140.186 3
Lo Low (pH 4.5-6) -0.09 2.34 -49.18 2 3 1 50 141.194 3

Activity (Go SEA)

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