UCSF

ZINC44726992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 20 No

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) -0.19 -1.52 -48.21 6 6 1 106 283.348 7
Mid Mid (pH 6-8) -0.19 -1.84 -11.36 5 6 0 105 282.34 7

Activity (Go SEA)

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