UCSF

ZINC03204955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 25 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) 3.50 9.07 -17.9 1 7 0 97 355.375 5
Hi High (pH 8-9.5) 3.57 6.99 -48.34 0 7 -1 103 354.367 5

Activity (Go SEA)

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