UCSF

ZINC37820273

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.60 1.82 -49.67 3 5 1 74 210.257 2
Hi High (pH 8-9.5) -0.60 1.42 -14.74 2 5 0 72 209.249 2

Activity (Go SEA)

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