UCSF

ZINC02797107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 26 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) 4.80 9.66 -44.22 1 4 1 34 466.755 3
Mid Mid (pH 6-8) 4.80 7.52 -9.06 0 4 0 33 465.747 3

Activity (Go SEA)

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