UCSF

ZINC41752304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 15 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) 0.90 6.25 -41 1 3 -1 52 226.683 3
Lo Low (pH 4.5-6) 0.90 4.28 -5.55 2 3 0 49 227.691 3

Activity (Go SEA)

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