UCSF

ZINC24715842

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 20 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) 1.76 3.93 -10.8 1 5 0 58 293.754 2
Hi High (pH 8-9.5) 2.21 2.88 -38.46 0 5 -1 61 292.746 2

Activity (Go SEA)

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