UCSF

ZINC23320304

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 33 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) 4.26 9.46 -19.67 2 7 0 78 447.514 5
Lo Low (pH 4.5-6) 4.26 9.74 -47.25 3 7 1 79 448.522 5

Activity (Go SEA)

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