UCSF

ZINC06785923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 31 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) 3.20 1.78 -15.33 1 7 0 97 417.417 7
Mid Mid (pH 6-8) 2.62 1.6 -23.07 0 7 0 93 417.417 7

Activity (Go SEA)

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