UCSF

ZINC31962777

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) -0.04 2.08 -58.31 4 8 1 102 314.373 4
Hi High (pH 8-9.5) -0.04 1.69 -16.26 3 8 0 100 313.365 4
Mid Mid (pH 6-8) -0.04 2.37 -104.37 5 8 2 103 315.381 4

Activity (Go SEA)

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