UCSF

ZINC04981672

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 19 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) 2.90 3.27 -6.88 1 4 0 53 258.321 1
Ref Reference (pH 7) 3.27 6.66 -7.57 1 4 0 49 258.321 1

Activity (Go SEA)

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