UCSF

ZINC38435220

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 15 Yes

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) 4.41 8.58 -45.58 0 2 -1 40 205.277 4
Lo Low (pH 4.5-6) 4.41 6.66 -4.49 1 2 0 37 206.285 4

Activity (Go SEA)

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