UCSF

ZINC13006465

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 22 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) 3.47 7.01 -8.55 2 4 0 62 357.207 2
Hi High (pH 8-9.5) 4.37 4.94 -47.01 1 4 -1 65 356.199 2

Activity (Go SEA)

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