UCSF

ZINC25785299

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 19 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) 3.40 6.04 -41.72 3 3 1 46 289.371 6
Hi High (pH 8-9.5) 3.40 4.8 -8.9 2 3 0 41 288.363 6

Activity (Go SEA)

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