UCSF

ZINC32795893

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 25 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) 3.51 7.18 -14.16 1 5 0 51 368.905 6
Mid Mid (pH 6-8) 3.51 8.87 -50.98 2 5 1 52 369.913 6

Activity (Go SEA)

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