UCSF

ZINC31972390

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 0.14 2.44 -65.76 2 9 -1 128 348.335 6
Lo Low (pH 4.5-6) 0.14 1.32 -28.61 3 9 0 125 349.343 6

Activity (Go SEA)

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