UCSF

ZINC39758327

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 4.65 8.42 -21.95 2 7 0 101 450.545 6
Hi High (pH 8-9.5) 4.72 6.86 -117.73 0 7 -2 109 448.529 6
Mid Mid (pH 6-8) 4.65 8.54 -58.16 1 7 -1 103 449.537 6

Activity (Go SEA)

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