UCSF

ZINC44623546

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) -1.85 6.02 -28.28 1 6 0 82 254.286 5
Hi High (pH 8-9.5) -1.85 3.66 -50.82 0 6 -1 81 253.278 5

Activity (Go SEA)

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