UCSF

ZINC35368373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 20 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) 1.05 5.17 -72.75 4 5 2 51 279.432 6
Hi High (pH 8-9.5) 1.05 3 -30.09 3 5 1 50 278.424 6
Lo Low (pH 4.5-6) 1.05 7.36 -171.84 5 5 3 52 280.44 6

Activity (Go SEA)

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