UCSF

ZINC35900927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 29 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) 3.87 10.94 -15.58 2 7 0 79 386.459 4
Mid Mid (pH 6-8) 3.87 10.95 -16.57 2 7 0 79 386.459 4

Activity (Go SEA)

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