UCSF

ZINC45650438

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.77 6.32 -39.14 2 2 1 20 233.379 4
Hi High (pH 8-9.5) 2.77 7.47 -31.36 2 2 1 16 233.379 4
Hi High (pH 8-9.5) 2.77 5.14 -1.91 1 2 0 15 232.371 4

Activity (Go SEA)

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