UCSF

ZINC36386475

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 35 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) 3.96 11.67 -14.7 0 7 0 84 474.557 6
Lo Low (pH 4.5-6) 3.96 13.29 -43.86 1 7 1 85 475.565 6
Lo Low (pH 4.5-6) 3.96 13.58 -53.33 1 7 1 85 475.565 6

Activity (Go SEA)

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