UCSF

ZINC36357773

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 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) 3.17 7.13 -12.08 1 5 0 60 355.344 3
Ref Reference (pH 7) 2.98 9.78 -10.98 1 5 0 56 355.344 3
Lo Low (pH 4.5-6) 2.98 10.24 -39.37 2 5 1 57 356.352 3

Activity (Go SEA)

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