UCSF

ZINC49549689

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 2.53 2.91 -10.8 2 4 0 58 295.314 2
Ref Reference (pH 7) 2.34 5.37 -9.26 2 4 0 54 295.314 2
Lo Low (pH 4.5-6) 2.53 4.01 -33.99 3 4 1 59 296.322 2

Activity (Go SEA)

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