UCSF

ZINC19473225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 No

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) 2.85 8.19 -25.5 2 4 0 57 282.372 2
Lo Low (pH 4.5-6) 2.85 8.65 -34.65 3 4 1 58 283.38 2

Activity (Go SEA)

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