UCSF

ZINC36221212

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.56 1.15 -27.87 5 5 1 73 197.262 6
Mid Mid (pH 6-8) 0.56 0.67 -7 4 5 0 72 196.254 6

Activity (Go SEA)

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