UCSF

ZINC26154814

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 32 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) 1.63 3.62 -64.69 5 8 1 123 473.497 10
Mid Mid (pH 6-8) 1.63 1.29 -19.68 4 8 0 122 472.489 10

Activity (Go SEA)

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