UCSF

ZINC42187229

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) 2.85 6.68 -48.46 3 4 1 62 292.428 3
Hi High (pH 8-9.5) 3.31 4.26 -41.05 2 4 0 65 291.42 3

Activity (Go SEA)

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