UCSF

ZINC39758230

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 35 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) 3.19 8.48 -18.84 3 9 0 122 510.645 9
Hi High (pH 8-9.5) 3.37 7.08 -50.88 2 9 -1 128 509.637 9

Activity (Go SEA)

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