UCSF

ZINC00441705

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 4.97 8.54 -33.64 0 3 -1 44 331.779 3
Hi High (pH 8-9.5) 5.92 6.9 -37.32 0 3 -1 48 331.779 2

Activity (Go SEA)

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