UCSF

ZINC01845673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 10 No

CAS Number: 815-68-9

Other Names:

MFCD00004516

QB-4888

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) -0.68 4.7 -22.09 0 3 0 51 142.154 3
Mid Mid (pH 6-8) -0.10 4.77 -46.07 0 3 -1 57 141.146 2

Activity (Go SEA)

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