UCSF

ZINC24829120

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 25 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) 3.83 10.56 -44.88 2 3 1 34 349.376 5
Hi High (pH 8-9.5) 3.83 8.51 -12.69 1 3 0 32 348.368 5

Activity (Go SEA)

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