UCSF

ZINC31972351

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) 0.41 2.06 -56.04 2 8 -1 119 335.336 7
Lo Low (pH 4.5-6) 0.41 0.94 -19.17 3 8 0 116 336.344 7

Activity (Go SEA)

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