UCSF

ZINC34375149

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 16 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) 0.44 4.42 -49.81 1 6 -1 102 227.24 6

Activity (Go SEA)

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