UCSF

ZINC36776866

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.79 5.83 -26.38 2 4 0 59 285.372 4
Lo Low (pH 4.5-6) 0.79 6.28 -50.4 3 4 1 60 286.38 4

Activity (Go SEA)

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