UCSF

ZINC25945908

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.00 8.79 -34.11 3 5 1 63 360.503 8
Hi High (pH 8-9.5) 3.00 6.7 -11.54 2 5 0 61 359.495 8

Activity (Go SEA)

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