UCSF

ZINC42405169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 13 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) 3.20 6.46 -42.75 2 1 1 17 217.119 1
Hi High (pH 8-9.5) 3.20 4.98 -1.51 1 1 0 12 216.111 1

Activity (Go SEA)

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