UCSF

ZINC31961922

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 0.06 1.02 -53.31 4 5 1 73 221.284 3
Mid Mid (pH 6-8) 0.06 0.63 -15.51 3 5 0 71 220.276 3

Activity (Go SEA)

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