UCSF

ZINC42254334

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 1.81 6.24 -42.61 2 5 1 57 273.36 5
Hi High (pH 8-9.5) 1.81 4.89 -8.31 1 5 0 52 272.352 5

Activity (Go SEA)

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