UCSF

ZINC52157953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 26 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) 4.00 10.65 -47.87 2 5 1 54 366.57 8
Mid Mid (pH 6-8) 4.00 8.47 -14.06 1 5 0 53 365.562 8

Activity (Go SEA)

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