UCSF

ZINC06622001

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 27 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) 2.74 8.07 -60.38 0 6 -1 87 362.361 5
Mid Mid (pH 6-8) 2.74 1.62 -15.05 1 6 0 83 363.369 5
Mid Mid (pH 6-8) 2.16 1.49 -24.99 0 6 0 80 363.369 5

Activity (Go SEA)

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