UCSF

ZINC39743715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 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) 3.24 9.33 -24.1 2 9 0 111 482.591 8
Hi High (pH 8-9.5) 3.42 7.92 -58.69 1 9 -1 117 481.583 8

Activity (Go SEA)

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