UCSF

ZINC34610957

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 No

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) 3.07 10.33 -63.34 3 8 1 98 384.46 4
Mid Mid (pH 6-8) 3.07 8.19 -21.6 2 8 0 97 383.452 4

Activity (Go SEA)

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