UCSF

ZINC30145333

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2009 18 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) 2.44 7 -45.18 2 4 1 46 268.406 4
Mid Mid (pH 6-8) 2.26 5.92 -32.54 1 4 0 53 267.398 4

Activity (Go SEA)

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