UCSF

ZINC31915672

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 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) 2.05 6.8 -12.89 0 3 0 41 185.23 1
Mid Mid (pH 6-8) 2.05 7.21 -32.5 1 3 1 42 186.238 1

Activity (Go SEA)

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