UCSF

ZINC45777181

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 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) 2.44 6.82 -34.8 2 4 1 37 290.431 4
Hi High (pH 8-9.5) 2.44 4.62 -8.34 1 4 0 36 289.423 4

Activity (Go SEA)

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