UCSF

ZINC74923928

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2012 18 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) 1.52 6.8 -10.67 0 4 0 46 244.294 5
Lo Low (pH 4.5-6) 1.52 7.26 -38.17 1 4 1 48 245.302 5

Activity (Go SEA)

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