UCSF

ZINC62145277

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 23 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) 2.14 7.19 -42.03 3 5 1 59 318.441 10
Hi High (pH 8-9.5) 2.14 4.69 -12.91 2 5 0 57 317.433 10

Activity (Go SEA)

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