UCSF

ZINC00149927

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 3.75 6.44 -33.61 4 5 1 78 342.444 4
Mid Mid (pH 6-8) 3.75 6.05 -11.25 3 5 0 77 341.436 4

Activity (Go SEA)

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