UCSF

ZINC49454843

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 18 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) 2.19 8.09 -62.71 0 5 -1 69 244.274 4
Mid Mid (pH 6-8) 2.19 8.5 -31.81 1 5 0 70 245.282 4

Activity (Go SEA)

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