UCSF

ZINC49575876

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 16 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) 2.34 6.31 -42.89 2 3 1 29 224.303 4
Hi High (pH 8-9.5) 2.34 4.1 -5.39 1 3 0 28 223.295 4

Activity (Go SEA)

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