UCSF

ZINC33774752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 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) 4.51 13.05 -55.35 0 8 -1 101 529.613 13
Lo Low (pH 4.5-6) 4.51 11.77 -21.35 1 8 0 98 530.621 13
Lo Low (pH 4.5-6) 4.51 12.21 -60.08 2 8 1 99 531.629 13

Activity (Go SEA)

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