UCSF

ZINC34960488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 0.25 0.38 -52.17 4 4 1 60 228.36 6
Mid Mid (pH 6-8) 0.25 2.11 -32.07 4 4 1 60 228.36 6

Activity (Go SEA)

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