UCSF

ZINC39752336

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 3.07 10.76 -19.31 1 10 0 128 448.53 9
Hi High (pH 8-9.5) 3.25 9.54 -39.07 0 10 -1 134 447.522 9

Activity (Go SEA)

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