UCSF

ZINC04745023

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 19 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) 2.40 3.28 -12.1 2 4 0 70 255.273 3
Lo Low (pH 4.5-6) 2.40 3.71 -45.26 3 4 1 71 256.281 3

Activity (Go SEA)

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