UCSF

ZINC31931386

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 26 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) 3.15 6.29 -8.41 1 6 0 60 384.904 8
Mid Mid (pH 6-8) 3.15 8 -42.78 2 6 1 61 385.912 8

Activity (Go SEA)

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