UCSF

ZINC28779554

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 21 No

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) 1.36 6.96 -11.32 0 6 0 48 308.407 3
Mid Mid (pH 6-8) 1.36 8.86 -39.28 1 6 1 50 309.415 3

Activity (Go SEA)

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