UCSF

ZINC34939756

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 0.00 2.52 -32.87 3 5 1 59 252.338 4
Lo Low (pH 4.5-6) 0.00 3.77 -111.74 4 5 2 63 253.346 4
Lo Low (pH 4.5-6) 0.00 1.69 -38.54 3 5 1 62 252.338 4

Activity (Go SEA)

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