UCSF

ZINC36360352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 22 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) 2.96 7.24 -8.29 1 4 0 50 329.812 2
Ref Reference (pH 7) 2.77 9.91 -8.85 1 4 0 47 329.812 2
Mid Mid (pH 6-8) 2.77 10.37 -43.48 2 4 1 48 330.82 2

Activity (Go SEA)

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