UCSF

ZINC20135002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 36 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.58 11.9 -14.79 2 7 0 89 478.552 6
Hi High (pH 8-9.5) 5.28 10.33 -43.69 0 7 -1 91 477.544 6

Activity (Go SEA)

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