UCSF

ZINC05380176

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 26 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) 2.84 2.93 -26.25 2 7 1 84 362.402 7
Mid Mid (pH 6-8) 2.84 1.87 -16.26 1 7 0 83 361.394 7

Activity (Go SEA)

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