UCSF

ZINC42206713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) -0.75 -1.95 -45.11 4 5 1 75 205.278 9
Hi High (pH 8-9.5) -0.75 -3.3 -10.57 3 5 0 71 204.27 9

Activity (Go SEA)

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