UCSF

ZINC36889850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 No

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) 4.11 6.12 -9.53 0 3 0 53 292.108 3
Mid Mid (pH 6-8) 2.92 8.9 -12.46 0 3 0 47 293.116 4

Activity (Go SEA)

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