UCSF

ZINC36673749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 0.92 3.86 -12.19 1 3 0 44 212.318 2
Mid Mid (pH 6-8) 1.16 3.48 -9.44 2 3 0 46 212.318 2

Activity (Go SEA)

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