UCSF

ZINC40189878

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.28 8.71 -17.86 1 7 0 76 386.496 7
Mid Mid (pH 6-8) 2.28 9.07 -36.67 2 7 1 78 387.504 7

Activity (Go SEA)

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