UCSF

ZINC24889979

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 24 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) 2.88 11.25 -61.19 1 3 1 25 331.386 4
Mid Mid (pH 6-8) 2.88 9.12 -11.02 0 3 0 24 330.378 4

Activity (Go SEA)

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