UCSF

ZINC35024783

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 No

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) -3.49 -2.52 -264.9 3 15 -3 235 425.163 6
Hi High (pH 8-9.5) -3.04 -4.6 -329.41 2 15 -4 238 424.155 6
Mid Mid (pH 6-8) -3.49 -3.68 -144.52 4 15 -2 232 426.171 6

Activity (Go SEA)

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