UCSF

ZINC70711049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2011 24 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) 2.82 10.23 -43.98 1 4 1 34 325.432 5
Mid Mid (pH 6-8) 2.82 8.01 -8.73 0 4 0 33 324.424 5

Activity (Go SEA)

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