UCSF

ZINC37714164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 16 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) -0.84 -0.14 -7.04 1 6 0 70 230.264 5
Lo Low (pH 4.5-6) -0.84 2.16 -39.46 2 6 1 71 231.272 5

Activity (Go SEA)

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