UCSF

ZINC06474840

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 24 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) 2.36 5.92 -19.49 2 8 0 120 324.296 4
Mid Mid (pH 6-8) 2.82 4.03 -45.28 1 8 -1 123 323.288 4
Mid Mid (pH 6-8) 2.82 4.29 -37.51 1 8 -1 123 323.288 4

Activity (Go SEA)

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