UCSF

ZINC26771112

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 28 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) 4.06 11.06 -11.25 0 4 0 60 384.516 4
Mid Mid (pH 6-8) 4.64 11.15 -40.44 0 4 -1 66 383.508 4

Activity (Go SEA)

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