UCSF

ZINC33073353

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 1.85 4.61 -15.87 2 5 0 75 305.384 3
Hi High (pH 8-9.5) 2.31 3.45 -39.47 1 5 -1 78 304.376 3

Activity (Go SEA)

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