UCSF

ZINC49777691

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 44 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) 0.89 11.29 -44.52 1 13 1 157 600.608 8
Mid Mid (pH 6-8) 0.89 8.97 -31.27 0 13 0 156 599.6 8

Activity (Go SEA)

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