UCSF

ZINC38002754

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 2.47 8 -44.86 2 4 1 47 316.248 4
Mid Mid (pH 6-8) 2.47 6.91 -13.11 1 4 0 43 315.24 4

Activity (Go SEA)

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