UCSF

ZINC42172009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.91 6.64 -101.71 3 2 2 21 186.343 5
Hi High (pH 8-9.5) 1.91 5.46 -30.37 2 2 1 16 185.335 5

Activity (Go SEA)

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