UCSF

ZINC39557412

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 24 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) 5.00 12.24 -47.81 0 4 -1 62 324.4 8
Lo Low (pH 4.5-6) 5.00 12.59 -63.94 1 4 0 63 325.408 8

Activity (Go SEA)

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