UCSF

ZINC03679812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 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) 2.98 7.2 -10.07 1 4 0 59 251.669 4
Hi High (pH 8-9.5) 2.98 6.77 -36.54 0 4 -1 57 250.661 4

Activity (Go SEA)

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