UCSF

ZINC35431226

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 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) 2.94 8.1 -26.76 0 7 0 78 447.601 4
Mid Mid (pH 6-8) 2.94 10.28 -69.87 1 7 1 79 448.609 4

Activity (Go SEA)

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