UCSF

ZINC36522346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 32 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) 7.05 13.98 -12.31 1 4 0 49 477.476 11

Activity (Go SEA)

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