UCSF

ZINC04809374

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 24 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) 4.32 -1.78 -10.92 1 5 0 64 349.452 5
Hi High (pH 8-9.5) 4.32 -1.23 -47.49 0 5 -1 66 348.444 5

Activity (Go SEA)

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