UCSF

ZINC55183349

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 31 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) 2.98 10.57 -44.45 2 5 1 50 421.609 6
Lo Low (pH 4.5-6) 2.98 10.61 -45.71 2 5 1 50 421.609 6
Lo Low (pH 4.5-6) 2.98 11.08 -91.11 3 5 2 51 422.617 6

Activity (Go SEA)

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