UCSF

ZINC06894414

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 26 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) 3.32 8.14 -47.77 3 6 0 91 354.406 8
Hi High (pH 8-9.5) 3.32 6.78 -51.69 2 6 -1 86 353.398 8

Activity (Go SEA)

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