UCSF

ZINC60992107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2011 16 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) 1.74 7.6 -35.29 1 3 1 25 241.38 6
Hi High (pH 8-9.5) 1.74 5.54 -9.26 0 3 0 24 240.372 6

Activity (Go SEA)

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