UCSF

ZINC20797483

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) 1.02 7.66 -44.05 2 6 1 57 359.494 5
Hi High (pH 8-9.5) 1.02 7.66 -48.59 2 6 1 57 359.494 5
Hi High (pH 8-9.5) 1.02 5.43 -16.58 1 6 0 56 358.486 5

Activity (Go SEA)

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