UCSF

ZINC16215374

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 33 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) 3.45 3.51 -22.95 2 11 0 157 493.519 9
Hi High (pH 8-9.5) 3.45 3.58 -60.54 1 11 -1 159 492.511 9
Hi High (pH 8-9.5) 3.45 3.58 -47.45 1 11 -1 159 492.511 9
Hi High (pH 8-9.5) 3.45 3.65 -106.36 0 11 -2 161 491.503 9

Activity (Go SEA)

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