UCSF

ZINC31946961

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 0.89 4.55 -10.97 1 5 0 58 308.432 3
Mid Mid (pH 6-8) 0.89 5.93 -55.72 2 5 1 63 309.44 3

Activity (Go SEA)

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