UCSF

ZINC42163584

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 12 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) 1.13 6.64 -33.35 1 3 0 45 171.24 4

Activity (Go SEA)

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