UCSF

ZINC55118095

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 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) 1.62 9.12 -47.18 1 5 1 45 316.425 3
Mid Mid (pH 6-8) 1.62 6.64 -10.51 0 5 0 44 315.417 3
Mid Mid (pH 6-8) 1.62 6.92 -10.55 0 5 0 44 315.417 3

Activity (Go SEA)

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