UCSF

ZINC58308388

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 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) 1.93 5.66 -55.78 3 5 1 50 312.441 5
Hi High (pH 8-9.5) 1.93 6.94 -44.45 3 5 1 46 312.441 5
Mid Mid (pH 6-8) 1.93 5.82 -101.01 4 5 2 51 313.449 5
Lo Low (pH 4.5-6) 1.93 7.1 -79.25 4 5 2 48 313.449 5
Lo Low (pH 4.5-6) 1.93 8.27 -194.51 5 5 3 52 314.457 5

Activity (Go SEA)

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

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