UCSF

ZINC34697963

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 29 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) 2.90 8.42 -13.14 0 5 0 46 408.42 5
Mid Mid (pH 6-8) 2.90 9.32 -48.79 1 5 1 47 409.428 5

Activity (Go SEA)

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