UCSF

ZINC55153008

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 22 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) 2.13 3.2 -15.29 4 6 0 101 300.362 7
Ref Reference (pH 7) 2.13 3.15 -16.24 4 6 0 101 300.362 7

Activity (Go SEA)

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