UCSF

ZINC41511077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 No

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) 4.40 9.09 -46.01 2 5 1 64 402.417 5
Mid Mid (pH 6-8) 4.40 9.86 -31.45 1 5 0 67 401.409 5

Activity (Go SEA)

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