UCSF

ZINC37835714

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.12 5.64 -70.39 1 6 0 68 283.372 6
Lo Low (pH 4.5-6) -0.12 8.11 -118.26 2 6 1 69 284.38 6
Lo Low (pH 4.5-6) -0.12 5.71 -67.01 1 6 0 68 283.372 6

Activity (Go SEA)

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