UCSF

ZINC35848802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 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) 5.05 15.05 -43.94 1 4 1 33 407.607 5
Mid Mid (pH 6-8) 5.05 12.82 -6.65 0 4 0 32 406.599 5

Activity (Go SEA)

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