UCSF

ZINC36737706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 Yes

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) 3.00 3.44 -9.77 4 4 0 75 262.696 2
Hi High (pH 8-9.5) 3.00 4.45 -53.6 3 4 -1 78 261.688 2

Activity (Go SEA)

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