UCSF

ZINC05159777

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.62 7.26 -13.3 1 2 0 33 273.335 1
Mid Mid (pH 6-8) 4.62 7.59 -24.88 2 2 1 34 274.343 1

Activity (Go SEA)

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