UCSF

ZINC29194749

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 31 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) 3.03 7.65 -24.6 1 8 0 97 467.523 8
Hi High (pH 8-9.5) 2.85 6.58 -47.06 0 8 -1 104 466.515 8

Activity (Go SEA)

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