UCSF

ZINC42173603

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 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) 1.09 7.95 -44.36 0 6 -1 76 289.311 6
Mid Mid (pH 6-8) 1.09 8.32 -42.76 1 6 0 78 290.319 6

Activity (Go SEA)

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