UCSF

ZINC42164560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) -1.10 2.97 -77.59 2 6 0 80 255.318 4
Hi High (pH 8-9.5) -1.10 1.61 -54.85 1 6 -1 76 254.31 4

Activity (Go SEA)

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