UCSF

ZINC06146437

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 35 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) 4.34 8.57 -16 2 8 0 118 511.625 7
Mid Mid (pH 6-8) 4.34 8.58 -48.66 1 8 -1 120 510.617 7

Activity (Go SEA)

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