UCSF

ZINC44686943

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 3.00 6.39 -36.53 2 3 1 29 275.416 5
Lo Low (pH 4.5-6) 3.00 8.84 -105.8 3 3 2 30 276.424 5
Lo Low (pH 4.5-6) 3.00 8.03 -32.61 2 3 1 26 275.416 5

Activity (Go SEA)

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