UCSF

ZINC37128664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 5.72 10.66 -31.78 2 1 1 17 306.52 6
Hi High (pH 8-9.5) 5.72 9.71 -3.37 1 1 0 12 305.512 6

Activity (Go SEA)

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