UCSF

ZINC58281747

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 22 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) 2.07 8.24 -14.26 0 4 0 42 296.37 6
Lo Low (pH 4.5-6) 2.07 8.89 -36.2 1 4 1 44 297.378 6

Activity (Go SEA)

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