UCSF

ZINC35955360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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 14.46 -99.25 3 4 2 41 430.036 9
Hi High (pH 8-9.5) 4.12 13.25 -41.6 2 4 1 37 429.028 9

Activity (Go SEA)

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