UCSF

ZINC43993236

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.56 9.95 -103.41 3 3 2 36 245.37 4
Hi High (pH 8-9.5) 2.56 7.5 -7.13 1 3 0 30 243.354 4
Mid Mid (pH 6-8) 2.56 9.44 -41.36 2 3 1 34 244.362 4

Activity (Go SEA)

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