UCSF

ZINC39858925

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 18 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.48 5.58 -7.29 0 4 0 47 261.35 3
Lo Low (pH 4.5-6) 2.48 6.06 -42.35 1 4 1 49 262.358 3

Activity (Go SEA)

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