UCSF

ZINC36226475

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 0.41 3.89 -85.41 5 4 2 57 196.298 4
Hi High (pH 8-9.5) 0.41 1.07 -5.86 3 4 0 54 194.282 4
Mid Mid (pH 6-8) 0.41 3.54 -37.22 4 4 1 55 195.29 4

Activity (Go SEA)

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