UCSF

ZINC19486369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) 1.77 4.41 -27.45 3 3 1 34 242.431 7
Hi High (pH 8-9.5) 1.77 4.55 -114.22 4 3 2 35 243.439 7
Hi High (pH 8-9.5) 1.77 6.64 -93.07 4 3 2 35 243.439 7
Hi High (pH 8-9.5) 1.77 4.83 -31.99 3 3 1 34 242.431 7
Mid Mid (pH 6-8) 1.77 4.91 -108.94 4 3 2 35 243.439 7
Lo Low (pH 4.5-6) 1.77 6.61 -214.43 5 3 3 37 244.447 7

Activity (Go SEA)

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