UCSF

ZINC40514469

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 39 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) 0.42 6.96 -59.32 6 10 1 152 536.653 9
Mid Mid (pH 6-8) 0.42 6.64 -30.08 5 10 0 150 535.645 9

Activity (Go SEA)

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