UCSF

ZINC52981676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.45 6.49 -50.69 1 3 -1 52 206.265 3
Lo Low (pH 4.5-6) 3.45 6.53 -34.35 2 3 0 57 207.273 3

Activity (Go SEA)

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