UCSF

ZINC34436785

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 22 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) 2.99 4.14 -12.06 2 5 0 76 360.115 6
Hi High (pH 8-9.5) 3.18 2.8 -95.47 0 5 -2 85 358.099 6
Mid Mid (pH 6-8) 2.99 4.91 -42.65 1 5 -1 78 359.107 6

Activity (Go SEA)

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