UCSF

ZINC34972197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 2.42 5.46 -45.94 2 4 -1 57 243.674 1
Mid Mid (pH 6-8) 1.69 5.21 -11.27 3 4 0 60 244.682 1

Activity (Go SEA)

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