UCSF

ZINC04793137

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 34 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) 3.86 8.61 -18.92 2 8 0 102 459.502 7
Mid Mid (pH 6-8) 4.31 6.73 -57.14 1 8 -1 106 458.494 7

Activity (Go SEA)

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