UCSF

ZINC39327914

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 4.68 9.26 -11.53 3 6 0 90 466.566 6
Mid Mid (pH 6-8) 4.68 9.59 -32.92 4 6 1 91 467.574 6
Lo Low (pH 4.5-6) 4.68 10.06 -78.21 5 6 2 93 468.582 6

Activity (Go SEA)

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