UCSF

ZINC06887448

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2006 20 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) 2.40 -4.46 -12.66 2 6 0 88 359.201 5
Hi High (pH 8-9.5) 2.40 -3.89 -42.13 1 6 -1 90 358.193 5

Activity (Go SEA)

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