UCSF

ZINC54931568

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 Yes

Other Names:

MFCD29046745

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) 1.24 3 -41.23 2 2 1 20 195.311 1
Mid Mid (pH 6-8) 1.24 1.33 -2.8 1 2 0 15 194.303 1
Lo Low (pH 4.5-6) 1.24 5.12 -119.27 3 2 2 21 196.319 1

Activity (Go SEA)

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

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