UCSF

ZINC19939939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 28 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) 4.33 9.76 -9.81 0 5 0 47 415.584 6

Activity (Go SEA)

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