UCSF

ZINC20133953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 31 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) 4.12 10.28 -15.86 2 8 0 94 426.427 5

Activity (Go SEA)

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