UCSF

ZINC40176773

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 No

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) -0.01 1.21 -55.92 1 9 -1 132 422.464 6
Mid Mid (pH 6-8) -0.01 1.17 -22.92 2 9 0 130 423.472 6

Activity (Go SEA)

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