UCSF

ZINC41664206

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.11 10.16 -17.76 0 7 0 82 431.444 4
Mid Mid (pH 6-8) 4.11 13.13 -46.66 1 7 1 83 432.452 4

Activity (Go SEA)

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