UCSF

ZINC06858576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 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) 2.22 -4.24 -10.73 1 6 0 85 352.597 3
Hi High (pH 8-9.5) 2.22 -3.68 -36.93 0 6 -1 87 351.589 3

Activity (Go SEA)

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