UCSF

ZINC40288174

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 2.12 8.35 -22.71 1 10 0 120 417.429 4
Ref Reference (pH 7) 1.93 11 -23.45 1 10 0 116 417.429 4

Activity (Go SEA)

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