UCSF

ZINC31966013

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.10 5.29 -57.56 2 6 -1 94 276.316 6
Lo Low (pH 4.5-6) 2.10 4.17 -17.6 3 6 0 91 277.324 6

Activity (Go SEA)

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