UCSF

ZINC43904558

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.24 8.63 -123.77 3 4 2 40 292.423 6
Mid Mid (pH 6-8) 3.24 7.59 -35.24 2 4 1 35 291.415 6
Mid Mid (pH 6-8) 3.24 7.07 -40.13 2 4 1 38 291.415 6

Activity (Go SEA)

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