UCSF

ZINC31976262

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) 1.93 7.41 -59.29 1 6 -1 95 338.368 5
Hi High (pH 8-9.5) 2.00 6.47 -110.22 0 6 -2 101 337.36 5

Activity (Go SEA)

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