UCSF

ZINC33670932

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.18 10.81 -58.97 4 4 1 70 448.999 7
Mid Mid (pH 6-8) 3.18 10.51 -9.78 3 4 0 68 447.991 7

Activity (Go SEA)

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