UCSF

ZINC06622746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 22 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) 2.81 5.61 -54.29 1 4 -1 69 312.732 3
Mid Mid (pH 6-8) 2.23 6.33 -19.1 1 4 0 63 313.74 3
Mid Mid (pH 6-8) 3.26 5.07 -15.33 2 4 0 66 313.74 2

Activity (Go SEA)

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