UCSF

ZINC31570496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 33 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) 5.40 13.49 -43.78 1 5 1 43 453.647 12
Mid Mid (pH 6-8) 5.40 13.08 -40.02 1 5 1 43 453.647 12
Mid Mid (pH 6-8) 5.40 11.25 -7.95 0 5 0 42 452.639 12

Activity (Go SEA)

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