UCSF

ZINC42171767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 16 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) 2.05 7.67 -113.51 3 2 2 21 238.4 3
Mid Mid (pH 6-8) 2.05 5.49 -39.6 2 2 1 20 237.392 3

Activity (Go SEA)

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