UCSF

ZINC04391067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 16 No

Other Names:

MFCD02949039

Download: MOL2 SDF SMILES Flexibase

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) 4.42 7.35 -35.61 0 2 -1 40 223.336 0
Mid Mid (pH 6-8) 4.42 2.69 -11.37 1 2 0 37 224.344 1
Mid Mid (pH 6-8) 3.84 3.01 -19.63 0 2 0 34 224.344 1

Activity (Go SEA)

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