UCSF

ZINC09231862

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.68 -9.44 -43.73 7 6 1 118 196.223 6
Hi High (pH 8-9.5) -2.68 -10.89 -8.88 6 6 0 113 195.215 6

Activity (Go SEA)

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