UCSF

ZINC34681670

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 3.96 12.26 -45.34 2 6 1 59 435.523 6
Lo Low (pH 4.5-6) 3.96 12.62 -102.89 3 6 2 60 436.531 6

Activity (Go SEA)

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