UCSF

ZINC23367188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 19 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) 1.89 4.14 -10.44 3 4 0 72 257.337 4
Mid Mid (pH 6-8) 1.89 4.53 -54.31 4 4 1 73 258.345 4
Mid Mid (pH 6-8) 2.35 3.46 -59.82 3 4 0 76 257.337 4

Activity (Go SEA)

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