UCSF

ZINC39908792

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.57 7.11 -12.38 1 6 0 80 430.254 2
Hi High (pH 8-9.5) 3.57 8.02 -49.69 0 6 -1 83 429.246 2

Activity (Go SEA)

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