UCSF

ZINC00387542

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 No

Other Names:

MFCD05741945

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) -2.23 -1.34 -33.6 0 3 1 12 233.335 3
Mid Mid (pH 6-8) -2.23 2 -108.84 1 3 2 13 234.343 3

Activity (Go SEA)

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