UCSF

ZINC31972313

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 0.35 2.36 -55.04 2 8 -1 119 335.336 6
Lo Low (pH 4.5-6) 0.35 1.24 -20.15 3 8 0 116 336.344 6

Activity (Go SEA)

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