UCSF

ZINC50518284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 21 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) 3.04 9.51 -50.05 3 1 1 28 294.34 5
Hi High (pH 8-9.5) 3.04 9.18 -4.03 2 1 0 26 293.332 5

Activity (Go SEA)

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