UCSF

ZINC34866194

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 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) 5.23 12.92 -46.07 2 3 1 34 409.997 7
Mid Mid (pH 6-8) 5.23 10.7 -6.34 1 3 0 32 408.989 7

Activity (Go SEA)

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