UCSF

ZINC42529693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 2.03 4.73 -100.41 5 3 2 56 201.358 7
Hi High (pH 8-9.5) 2.03 2.78 -32.27 4 3 1 55 200.35 7

Activity (Go SEA)

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