UCSF

ZINC42449495

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.06 4.6 -44.58 2 4 1 57 212.317 6
Mid Mid (pH 6-8) 1.06 2.72 -11.37 1 4 0 56 211.309 6

Activity (Go SEA)

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