UCSF

ZINC19837653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) 1.10 3.05 -11.54 1 3 0 41 193.246 2
Hi High (pH 8-9.5) 1.10 3.85 -44.26 0 3 -1 43 192.238 2

Activity (Go SEA)

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