UCSF

ZINC37049057

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) -0.52 1.47 -90.76 5 6 2 74 302.463 9
Hi High (pH 8-9.5) -0.52 -1.06 -8 3 6 0 71 300.447 9
Mid Mid (pH 6-8) -0.52 1.25 -108.14 5 6 2 74 302.463 9
Mid Mid (pH 6-8) -0.52 -0.67 -49.15 4 6 1 72 301.455 9

Activity (Go SEA)

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