UCSF

ZINC41194001

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 4.66 8.31 -31.8 2 2 1 29 281.489 4
Hi High (pH 8-9.5) 4.66 8.01 -3.6 1 2 0 25 280.481 4
Lo Low (pH 4.5-6) 4.66 9.07 -91.61 3 2 2 31 282.497 4

Activity (Go SEA)

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