UCSF

ZINC62127028

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 18 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) 0.61 6.17 -45.73 1 5 1 45 256.37 5
Hi High (pH 8-9.5) 0.61 3.7 -10.93 0 5 0 44 255.362 5

Activity (Go SEA)

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