UCSF

ZINC25422236

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 3.48 5.08 -14.96 2 4 0 59 271.316 4
Hi High (pH 8-9.5) 3.48 6.11 -59.34 1 4 -1 61 270.308 4

Activity (Go SEA)

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