UCSF

ZINC30603840

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 17 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) 0.53 0.76 -35.22 0 6 -1 78 236.251 2
Lo Low (pH 4.5-6) 0.07 1.58 -9.8 1 6 0 75 237.259 2

Activity (Go SEA)

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