UCSF

ZINC63195958

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 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) 0.47 3.39 -99.63 4 3 2 35 201.358 4
Hi High (pH 8-9.5) 0.47 0.92 -37.42 3 3 1 34 200.35 4
Lo Low (pH 4.5-6) 0.47 5.29 -213.01 5 3 3 37 202.366 4

Activity (Go SEA)

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