UCSF

ZINC36332121

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 17 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) 0.68 1.18 -47 2 4 1 54 261.411 3
Lo Low (pH 4.5-6) 0.68 3.5 -124.57 3 4 2 55 262.419 3

Activity (Go SEA)

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