UCSF

ZINC00333142

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Other Names:

MFCD05863222

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) 2.82 0.27 -16.07 1 4 0 46 285.734 2
Mid Mid (pH 6-8) 2.82 0.5 -34.56 2 4 1 47 286.742 2

Activity (Go SEA)

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