UCSF

ZINC50079682

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 25 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) 0.90 6.97 -49.67 2 7 1 74 345.423 3
Mid Mid (pH 6-8) 0.90 4.63 -14.77 1 7 0 73 344.415 3

Activity (Go SEA)

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