UCSF

ZINC00825219

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 32 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) 4.44 8.6 -13.44 3 6 0 95 427.504 6
Hi High (pH 8-9.5) 4.90 6.86 -49.46 2 6 -1 98 426.496 6

Activity (Go SEA)

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