UCSF

ZINC37984572

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 2.02 4.02 -45.86 3 4 1 55 336.275 8
Hi High (pH 8-9.5) 2.02 2.87 -9.5 2 4 0 50 335.267 8

Activity (Go SEA)

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