UCSF

ZINC36103443

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 Yes

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) 2.67 7.3 -12.93 0 5 0 42 352.862 5
Mid Mid (pH 6-8) 2.67 9.29 -50.83 1 5 1 43 353.87 5

Activity (Go SEA)

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