UCSF

ZINC24222081

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 21 Yes

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) 0.62 4.1 -49.82 2 6 1 63 292.359 5
Hi High (pH 8-9.5) 0.62 1.84 -13.31 1 6 0 62 291.351 5

Activity (Go SEA)

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