UCSF

ZINC35904988

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 18 Yes

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) 1.87 5.93 -40.42 0 5 -1 86 241.226 3
Mid Mid (pH 6-8) 0.57 7.16 -17.23 1 5 0 83 242.234 3

Activity (Go SEA)

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