UCSF

ZINC44266021

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 3.45 3.6 -44.81 3 4 1 67 287.17 3
Hi High (pH 8-9.5) 3.45 3.36 -5.74 2 4 0 65 286.162 3

Activity (Go SEA)

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