UCSF

ZINC34932650

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 No

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) 3.02 7.19 -77.75 2 8 0 104 519.392 9
Hi High (pH 8-9.5) 3.02 8.11 -108.27 1 8 -1 106 518.384 9
Lo Low (pH 4.5-6) 3.02 6.45 -53.25 3 8 1 101 520.4 9

Activity (Go SEA)

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