UCSF

ZINC19977003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 0.92 3.91 -37.08 3 4 1 46 262.377 4
Hi High (pH 8-9.5) 0.92 3.02 -38.19 3 4 1 49 262.377 4
Hi High (pH 8-9.5) 0.92 1.96 -6.93 2 4 0 44 261.369 4
Lo Low (pH 4.5-6) 0.92 5.32 -111.32 4 4 2 50 263.385 4

Activity (Go SEA)

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