UCSF

ZINC42108728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 23 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) 1.19 5.1 -54.81 2 7 1 86 340.425 5
Hi High (pH 8-9.5) 1.19 2.74 -19.68 1 7 0 85 339.417 5

Activity (Go SEA)

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