UCSF

ZINC20745686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 26 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) 1.43 7.01 -18.02 2 8 0 105 345.366 2
Hi High (pH 8-9.5) 1.43 6.51 -49.95 1 8 -1 103 344.358 2
Hi High (pH 8-9.5) 1.24 9.3 -43.5 1 8 -1 100 344.358 2
Mid Mid (pH 6-8) 1.24 9.78 -14.92 2 8 0 101 345.366 2
Mid Mid (pH 6-8) 1.43 6.99 -16.28 2 8 0 105 345.366 2

Activity (Go SEA)

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