UCSF

ZINC36357761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 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) 2.84 5.5 -11.52 2 6 0 80 414.259 3
Ref Reference (pH 7) 2.65 8.15 -11.72 2 6 0 76 414.259 3
Lo Low (pH 4.5-6) 2.65 8.61 -47.2 3 6 1 78 415.267 3

Activity (Go SEA)

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