UCSF

ZINC06690116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 26 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) 3.31 12.03 -14.47 0 5 0 51 369.852 7
Mid Mid (pH 6-8) 3.31 12.41 -38.61 1 5 1 53 370.86 7

Activity (Go SEA)

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