UCSF

ZINC37049588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.40 0.53 -106.09 5 6 2 74 302.463 9
Hi High (pH 8-9.5) -0.40 -1.72 -7.59 3 6 0 71 300.447 9
Hi High (pH 8-9.5) -0.40 -1.33 -47.33 4 6 1 72 301.455 9
Mid Mid (pH 6-8) -0.40 0.92 -94.69 5 6 2 74 302.463 9

Activity (Go SEA)

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