UCSF

ZINC45654075

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.75 8.51 -34.62 2 5 1 45 290.435 4
Hi High (pH 8-9.5) 1.75 6.15 -5.37 1 5 0 44 289.427 4
Lo Low (pH 4.5-6) 1.75 7.27 -41.05 2 5 1 49 290.435 4

Activity (Go SEA)

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