UCSF

ZINC37106542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.75 9.16 -76.8 3 4 2 36 278.444 4
Hi High (pH 8-9.5) 1.75 8.42 -36.01 2 4 1 34 277.436 4
Mid Mid (pH 6-8) 1.75 7.91 -101.41 3 4 2 39 278.444 4
Mid Mid (pH 6-8) 1.75 7.17 -46.73 2 4 1 38 277.436 4
Lo Low (pH 4.5-6) 1.75 10.33 -183.79 4 4 3 40 279.452 4

Activity (Go SEA)

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