UCSF

ZINC31921338

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) 2.27 7.77 -15.33 0 4 0 54 262.316 2
Lo Low (pH 4.5-6) 2.27 8.18 -35.64 1 4 1 55 263.324 2

Activity (Go SEA)

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