UCSF

ZINC16228121

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 23 No

Other Names:

MFCD00642835

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) 4.19 5.68 -10.2 2 5 0 75 326.377 3
Ref Reference (pH 7) 4.19 5.26 -10.06 2 5 0 75 326.377 3
Ref Reference (pH 7) 3.69 5.14 -43.11 1 5 -1 74 325.369 4
Hi High (pH 8-9.5) 4.19 6.6 -44.99 1 5 -1 78 325.369 3
Hi High (pH 8-9.5) 3.70 6.17 -103.47 0 5 -2 76 324.361 4
Hi High (pH 8-9.5) 4.19 6.19 -45.78 1 5 -1 78 325.369 3

Activity (Go SEA)

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