UCSF

ZINC06620776

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 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) 3.35 6.52 -64.32 1 7 -1 99 424.473 10
Mid Mid (pH 6-8) 3.35 -1.62 -17.89 2 7 0 96 425.481 10
Mid Mid (pH 6-8) 2.77 -1.69 -27.35 1 7 0 93 425.481 10

Activity (Go SEA)

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