UCSF

ZINC39288159

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 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) 2.33 5.34 -51.21 1 5 -1 78 242.638 5
Lo Low (pH 4.5-6) 2.33 3.35 -9.84 2 5 0 76 243.646 5

Activity (Go SEA)

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