UCSF

ZINC34873655

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 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) 3.75 7.13 -12.4 2 5 0 75 369.424 4
Hi High (pH 8-9.5) 3.75 7.91 -56.3 1 5 -1 78 368.416 4
Lo Low (pH 4.5-6) 3.75 7.32 -42.54 3 5 1 76 370.432 4

Activity (Go SEA)

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