UCSF

ZINC36924210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 3.31 7.41 -34.98 2 3 1 37 303.879 6
Mid Mid (pH 6-8) 3.31 6.37 -9.33 1 3 0 32 302.871 6

Activity (Go SEA)

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