UCSF

ZINC19996973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 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) 4.04 9.39 -52.32 0 6 -1 88 389.362 3
Lo Low (pH 4.5-6) 3.59 11.18 -14.28 1 6 0 85 390.37 3

Activity (Go SEA)

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