UCSF

ZINC00081400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 13 Yes

Other Names:

MFCD00244615

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) 1.33 5 -54.63 0 4 -1 57 175.167 1
Mid Mid (pH 6-8) 1.33 5.42 -45.52 1 4 0 59 176.175 1

Activity (Go SEA)

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