UCSF

ZINC06102969

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 33 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) 4.29 -5.1 -93.08 3 7 2 80 499.946 6
Hi High (pH 8-9.5) 4.29 -4.52 -71 2 7 1 82 498.938 6

Activity (Go SEA)

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