UCSF

ZINC37223660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 0.55 3.99 -42.95 3 3 1 40 249.378 4
Hi High (pH 8-9.5) 0.55 3.32 -3.05 2 3 0 38 248.37 4
Lo Low (pH 4.5-6) 0.55 5.71 -116.94 4 3 2 41 250.386 4

Activity (Go SEA)

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