UCSF

ZINC39299530

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 9 No

Other Names:

MFCD09263793

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) -3.18 -0.7 -31.75 3 5 0 92 127.103 1
Lo Low (pH 4.5-6) -3.18 -0.97 -94.87 4 5 1 94 128.111 1

Activity (Go SEA)

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

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