UCSF

ZINC35344283

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 16 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) 1.65 3.04 -44.33 4 4 1 55 237.352 4
Hi High (pH 8-9.5) 1.65 0.58 -6.29 3 4 0 54 236.344 4

Activity (Go SEA)

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