UCSF

ZINC23692370

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 26 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) 2.11 6 -10.34 0 5 0 58 392.908 4
Mid Mid (pH 6-8) 2.11 8.32 -46.29 1 5 1 59 393.916 4

Activity (Go SEA)

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