UCSF

ZINC26514088

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 15 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) 0.02 1.92 -31.93 3 4 1 46 214.333 3
Hi High (pH 8-9.5) 0.02 3.18 -110.06 4 4 2 50 215.341 3
Lo Low (pH 4.5-6) 0.02 1.3 -40.24 3 4 1 49 214.333 3

Activity (Go SEA)

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