UCSF

ZINC34819652

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 30 No

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) -2.52 -7.16 -62.72 8 12 -1 220 421.338 7
Hi High (pH 8-9.5) -2.52 -6.24 -112.74 7 12 -2 223 420.33 7

Activity (Go SEA)

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