UCSF

ZINC27937830

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.44 -1.9 -17.24 2 8 0 99 328.46 6
Hi High (pH 8-9.5) -0.44 -2.26 -45.34 1 8 -1 101 327.452 6

Activity (Go SEA)

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