UCSF

ZINC35180928

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 33 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) 4.51 12.39 -19.88 1 6 0 62 443.547 7
Mid Mid (pH 6-8) 4.58 11.1 -41.3 2 6 1 67 444.555 7

Activity (Go SEA)

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