UCSF

ZINC26511164

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 10 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) 0.63 4.62 -33.61 1 2 1 17 157.262 2
Hi High (pH 8-9.5) 0.63 2.08 -4.48 0 2 0 16 156.254 2

Activity (Go SEA)

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