UCSF

ZINC41656503

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 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) 4.01 7.64 -9.37 0 5 0 56 351.402 2
Mid Mid (pH 6-8) 4.01 10.63 -43.24 1 5 1 57 352.41 2

Activity (Go SEA)

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