UCSF

ZINC43967873

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 3.18 7.4 -87.09 3 3 2 24 269.477 8
Hi High (pH 8-9.5) 3.18 5.13 -37.19 2 3 1 23 268.469 8

Activity (Go SEA)

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