UCSF

ZINC33761789

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 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) 1.97 2.84 -18.03 2 8 0 91 450.536 8
Hi High (pH 8-9.5) 1.97 2.92 -37.65 1 8 -1 93 449.528 8

Activity (Go SEA)

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