UCSF

ZINC16956953

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

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) 6.05 11.11 -44.17 0 5 -1 81 416.526 7
Mid Mid (pH 6-8) 5.86 12.03 -11.33 1 5 0 75 417.534 7

Activity (Go SEA)

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