UCSF

ZINC35543919

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) 3.09 10.98 -49.62 2 7 1 83 385.488 4
Mid Mid (pH 6-8) 3.09 8.77 -11.67 1 7 0 81 384.48 4

Activity (Go SEA)

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