UCSF

ZINC19293862

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 21 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) 3.31 9.52 -36.85 1 2 1 8 289.418 3
Hi High (pH 8-9.5) 3.31 7.22 -3.03 0 2 0 6 288.41 3

Activity (Go SEA)

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