UCSF

ZINC06418125

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 25 No

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) 3.43 6.42 -14.35 2 8 0 120 403.192 3
Hi High (pH 8-9.5) 3.89 4.68 -38.55 1 8 -1 123 402.184 3

Activity (Go SEA)

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