UCSF

ZINC20519741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 21 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) 1.92 6.57 -64.1 2 5 -1 81 297.419 7
Lo Low (pH 4.5-6) 1.92 5.44 -16.64 3 5 0 78 298.427 7

Activity (Go SEA)

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