UCSF

ZINC75629707

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2012 20 No

Other Names:

MFCD11519143

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) 1.66 4.1 -47.16 2 6 -1 84 274.3 3
Lo Low (pH 4.5-6) 1.66 4.89 -67.37 3 6 0 86 275.308 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.