UCSF

ZINC40191381

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 6.13 13.68 -9.21 1 4 0 47 401.554 7
Mid Mid (pH 6-8) 6.13 14.26 -31.8 2 4 1 48 402.562 7

Activity (Go SEA)

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