UCSF

ZINC09041125

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.86 -0.81 -50.7 2 7 1 84 431.896 5
Mid Mid (pH 6-8) 1.83 -0.97 -48.65 1 7 1 81 431.896 6

Activity (Go SEA)

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