UCSF

ZINC37037835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -1.50 0.36 -96.85 5 6 2 68 257.382 6
Hi High (pH 8-9.5) -1.50 -2.28 -11 3 6 0 65 255.366 6
Hi High (pH 8-9.5) -1.50 -1.91 -51.39 4 6 1 66 256.374 6
Mid Mid (pH 6-8) -1.50 -0.01 -40.16 4 6 1 66 256.374 6
Mid Mid (pH 6-8) -1.50 0.37 -111.69 5 6 2 68 257.382 6

Activity (Go SEA)

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