UCSF

ZINC34152371

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 34 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) 2.29 7.39 -43.56 4 8 1 118 482.638 7
Mid Mid (pH 6-8) 2.29 5.42 -8.01 3 8 0 117 481.63 7

Activity (Go SEA)

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