UCSF

ZINC45658328

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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
Hi High (pH 8-9.5) 0.44 0.78 -41.91 3 3 1 34 212.361 3
Hi High (pH 8-9.5) 0.44 2.22 -31.72 3 3 1 34 212.361 3
Mid Mid (pH 6-8) 0.44 4.76 -94.17 4 3 2 35 213.369 3
Mid Mid (pH 6-8) 0.44 2.48 -27.72 3 3 1 34 212.361 3
Mid Mid (pH 6-8) 0.44 2.86 -117.56 4 3 2 35 213.369 3
Lo Low (pH 4.5-6) 0.44 5.15 -213.97 5 3 3 37 214.377 3
Lo Low (pH 4.5-6) 0.44 3.09 -101.1 4 3 2 35 213.369 3

Activity (Go SEA)

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