UCSF

ZINC39751663

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 31 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) 5.02 9.91 -15.53 2 7 0 89 432.505 8
Hi High (pH 8-9.5) 5.02 9.71 -51.26 1 7 -1 87 431.497 8

Activity (Go SEA)

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