UCSF

ZINC35315304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 17 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) 0.11 4.46 -52.23 1 5 -1 82 235.263 6
Lo Low (pH 4.5-6) 0.11 4.93 -75.3 2 5 0 83 236.271 6

Activity (Go SEA)

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