UCSF

ZINC31933005

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.66 9.74 -49.77 1 5 1 40 312.393 5
Mid Mid (pH 6-8) 2.66 8.17 -12.96 0 5 0 39 311.385 5
Mid Mid (pH 6-8) 2.66 10.16 -97.67 2 5 2 41 313.401 5

Activity (Go SEA)

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