UCSF

ZINC13596551

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 30 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) 1.47 2.43 -23.41 4 10 0 149 404.386 5
Hi High (pH 8-9.5) 1.93 0.8 -54.04 3 10 -1 152 403.378 5
Hi High (pH 8-9.5) 1.93 0.53 -63.25 3 10 -1 152 403.378 5
Hi High (pH 8-9.5) 1.93 0.68 -58.08 3 10 -1 152 403.378 5
Hi High (pH 8-9.5) 1.93 0.41 -65.35 3 10 -1 152 403.378 5

Activity (Go SEA)

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