UCSF

ZINC20310618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 28 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) 2.80 8.67 -77.26 2 6 0 85 380.444 6
Hi High (pH 8-9.5) 2.80 9.69 -133.28 1 6 -1 88 379.436 6
Hi High (pH 8-9.5) 2.80 7.15 -133.74 0 6 -2 87 378.428 6

Activity (Go SEA)

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