UCSF

ZINC41420698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 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) 1.23 5.03 -17.98 0 6 0 59 320.389 6
Lo Low (pH 4.5-6) 1.23 7.18 -59.03 1 6 1 60 321.397 6

Activity (Go SEA)

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