UCSF

ZINC03874966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 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) 3.96 10.61 -50.16 2 6 -1 107 435.581 11
Lo Low (pH 4.5-6) 3.96 8.63 -14 3 6 0 104 436.589 11

Activity (Go SEA)

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