UCSF

ZINC36134045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 16 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) 0.77 1.17 -7.21 1 4 0 44 293.205 4
Lo Low (pH 4.5-6) 0.77 3.47 -40.64 2 4 1 45 294.213 4

Activity (Go SEA)

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