UCSF

ZINC06548725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 28 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 6.06 -12.29 1 6 0 71 394.5 6
Mid Mid (pH 6-8) 4.34 6.69 -39.64 2 6 1 72 395.508 6

Activity (Go SEA)

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