UCSF

ZINC42199894

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 4.27 9.4 -8.64 0 3 0 27 350.159 3
Mid Mid (pH 6-8) 4.27 9.85 -29.92 1 3 1 28 351.167 3

Activity (Go SEA)

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