UCSF

ZINC52889745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.27 11.28 -42.76 1 5 1 43 361.506 7
Hi High (pH 8-9.5) 3.27 9.31 -12.02 0 5 0 42 360.498 7

Activity (Go SEA)

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