UCSF

ZINC29213031

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 27 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) 3.15 4.9 -13.18 3 6 0 77 434.334 6
Lo Low (pH 4.5-6) 3.15 7.26 -48.93 4 6 1 78 435.342 6

Activity (Go SEA)

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