UCSF

ZINC45687384

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.51 3.62 -29.82 3 3 1 34 228.404 6
Hi High (pH 8-9.5) 1.51 2.07 -39.95 3 3 1 34 228.404 6
Lo Low (pH 4.5-6) 1.51 6.1 -103.26 4 3 2 35 229.412 6
Lo Low (pH 4.5-6) 1.51 6.38 -214.59 5 3 3 37 230.42 6

Activity (Go SEA)

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