UCSF

ZINC49710936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 32 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) 5.70 13.4 -14.32 0 6 0 58 440.632 11
Mid Mid (pH 6-8) 5.70 14.52 -56.09 1 6 1 60 441.64 11

Activity (Go SEA)

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