UCSF

ZINC37028220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.71 4.77 -98.61 5 4 2 61 263.385 5
Hi High (pH 8-9.5) 0.89 2.38 -53.39 4 4 1 67 262.377 5
Hi High (pH 8-9.5) 0.71 4.46 -43.22 4 4 1 60 262.377 5
Hi High (pH 8-9.5) 0.89 2.08 -36.68 3 4 0 66 261.369 5

Activity (Go SEA)

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