UCSF

ZINC45654623

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 0.64 5.34 -42.71 2 5 1 46 284.424 5
Hi High (pH 8-9.5) 0.64 2.98 -11.27 1 5 0 45 283.416 5
Lo Low (pH 4.5-6) 0.65 4 -52.12 2 5 1 49 284.424 5

Activity (Go SEA)

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