UCSF

ZINC45299524

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 31 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) 5.38 14.09 -55.45 0 4 -1 60 426.621 4
Mid Mid (pH 6-8) 5.38 12.14 -10.05 1 4 0 58 427.629 4

Activity (Go SEA)

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