UCSF

ZINC36321242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 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) -0.22 3.01 -7.56 3 6 0 84 250.302 3
Lo Low (pH 4.5-6) -0.22 3.47 -36.13 4 6 1 85 251.31 3

Activity (Go SEA)

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