UCSF

ZINC54700658

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 18 Yes

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) 0.16 3.03 -41.03 4 5 1 72 253.301 4
Mid Mid (pH 6-8) 0.16 0.83 -10.47 3 5 0 71 252.293 4
Lo Low (pH 4.5-6) 0.16 3.37 -96.06 5 5 2 74 254.309 4

Activity (Go SEA)

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

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