UCSF

ZINC02410632

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 27 Yes

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) 3.54 -5.18 -11.44 1 5 0 62 376.485 4
Lo Low (pH 4.5-6) -0.51 -5.07 -26.78 2 5 1 64 377.493 3

Activity (Go SEA)

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