UCSF

ZINC40191609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 34 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) 5.16 13.93 -15.18 1 6 0 67 460.622 10
Mid Mid (pH 6-8) 5.16 14.42 -32.91 2 6 1 68 461.63 10

Activity (Go SEA)

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