UCSF

ZINC39960087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.53 3.24 -14.91 0 3 0 53 162.192 1
Hi High (pH 8-9.5) 1.91 1.66 -46.44 0 3 -1 60 161.184 1

Activity (Go SEA)

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