UCSF

ZINC62114942

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 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) 0.64 3.43 -40.91 2 4 1 46 215.317 5

Activity (Go SEA)

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