UCSF

ZINC41665714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 5.36 10.17 -16.26 0 6 0 61 461.489 6
Mid Mid (pH 6-8) 5.36 13.03 -55.89 1 6 1 62 462.497 6

Activity (Go SEA)

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