UCSF

ZINC36353590

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 24 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) 2.90 5.25 -9.29 1 5 0 67 339.42 1
Ref Reference (pH 7) 2.71 8.71 -13.57 1 5 0 64 339.42 1

Activity (Go SEA)

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