UCSF

ZINC06690501

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 23 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) 1.71 6.41 -56.81 1 7 -1 100 312.305 5
Mid Mid (pH 6-8) 1.71 6.89 -53.99 2 7 0 101 313.313 5

Activity (Go SEA)

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