UCSF

ZINC06493934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 23 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) 2.93 5.75 -53.01 1 4 -1 69 330.722 3
Mid Mid (pH 6-8) 3.37 5.49 -15.8 2 4 0 66 331.73 2
Mid Mid (pH 6-8) 2.34 6.24 -10.39 1 4 0 63 331.73 3

Activity (Go SEA)

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