UCSF

ZINC28360254

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 20 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) 3.39 4.57 -18.35 2 4 0 71 268.268 1
Hi High (pH 8-9.5) 3.39 5.58 -63.74 1 4 -1 73 267.26 1
Hi High (pH 8-9.5) 3.39 5.37 -47.76 1 4 -1 73 267.26 1

Activity (Go SEA)

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