UCSF

ZINC26440570

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 14 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) 2.11 3.25 -25.29 3 3 1 49 189.238 1
Hi High (pH 8-9.5) 2.11 2.8 -12.56 2 3 0 48 188.23 1

Activity (Go SEA)

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