UCSF

ZINC47031537

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2010 19 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) 2.04 4.89 -13.04 0 4 0 50 296.779 4
Lo Low (pH 4.5-6) 2.04 5.35 -36.29 1 4 1 52 297.787 4

Activity (Go SEA)

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