UCSF

ZINC06481263

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 27 No

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) 6.03 13.29 -7.72 1 3 0 53 354.453 6
Hi High (pH 8-9.5) 6.22 11.84 -41.57 0 3 -1 59 353.445 6

Activity (Go SEA)

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