UCSF

ZINC49581313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 No

Other Names:

MFCD00609362

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) 2.68 0.23 -102.43 1 5 -2 88 336.17 1
Mid Mid (pH 6-8) 2.22 2.26 -35.81 2 5 -1 85 337.178 1
Lo Low (pH 4.5-6) 2.22 1.46 -9.02 3 5 0 82 338.186 1

Activity (Go SEA)

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

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