UCSF

ZINC04243950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 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) 1.06 6.65 -44.68 2 3 1 34 202.281 4
Mid Mid (pH 6-8) 1.06 7.13 -111.83 3 3 2 36 203.289 4

Activity (Go SEA)

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