UCSF

ZINC36900415

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 1.30 1.48 -10.72 1 5 0 61 332.853 6
Lo Low (pH 4.5-6) 1.30 3.78 -44.39 2 5 1 62 333.861 6

Activity (Go SEA)

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