UCSF

ZINC42273446

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 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) 2.00 5.72 -41.75 4 3 1 57 261.389 4
Mid Mid (pH 6-8) 2.00 5.43 -6.57 3 3 0 55 260.381 4

Activity (Go SEA)

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