UCSF

ZINC24977362

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 23 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) 1.74 5.82 -50.13 3 5 1 68 332.449 8
Mid Mid (pH 6-8) 1.74 4.4 -9.49 2 5 0 63 331.441 8

Activity (Go SEA)

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