UCSF

ZINC31862608

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.20 1.95 -18.58 3 4 0 72 235.312 0
Lo Low (pH 4.5-6) 2.20 3.02 -35.36 4 4 1 73 236.32 0

Activity (Go SEA)

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