UCSF

ZINC35649774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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
Ref Reference (pH 7) 1.22 1.75 -35.41 3 4 1 54 215.317 5
Hi High (pH 8-9.5) 1.22 -0.46 -8.45 2 4 0 53 214.309 5

Activity (Go SEA)

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