UCSF

ZINC34012074

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 3.45 8.97 -48.52 5 6 1 92 427.528 7
Hi High (pH 8-9.5) 3.45 6.65 -14.53 4 6 0 91 426.52 7

Activity (Go SEA)

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