UCSF

ZINC45662817

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.51 2.14 -52.42 3 4 1 53 250.366 3
Hi High (pH 8-9.5) 0.51 2.42 -5.04 2 4 0 51 249.358 3
Lo Low (pH 4.5-6) 0.51 2.6 -105.9 4 4 2 54 251.374 3

Activity (Go SEA)

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