UCSF

ZINC08896397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 37 No

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) 3.87 11.38 -48.42 2 8 1 90 511.639 13
Mid Mid (pH 6-8) 3.29 12.04 -57.25 1 8 1 87 511.639 13

Activity (Go SEA)

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