UCSF

ZINC71148716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 21 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) 2.23 7.71 -96.88 3 3 2 24 285.435 5
Hi High (pH 8-9.5) 2.23 5.36 -40.28 2 3 1 23 284.427 5
Hi High (pH 8-9.5) 2.23 6.38 -38.89 2 3 1 20 284.427 5

Activity (Go SEA)

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