UCSF

ZINC08600100

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 29 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) 6.27 13.92 -9.8 1 3 0 36 406.957 4

Activity (Go SEA)

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