UCSF

ZINC08441761

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 39 No

Other Names:

MFCD04088610

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) 5.93 1.39 -14.58 1 7 0 89 525.601 11
Mid Mid (pH 6-8) 5.35 1.18 -22.02 0 7 0 86 525.601 11

Activity (Go SEA)

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