UCSF

ZINC09556440

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 38 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) 4.17 0.59 -18.13 1 8 0 98 513.546 10
Mid Mid (pH 6-8) 3.58 0.45 -25.06 0 8 0 95 513.546 10

Activity (Go SEA)

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