UCSF

ZINC19488817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 No

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) 1.44 6.43 -36.18 4 4 1 55 265.406 5
Hi High (pH 8-9.5) 1.44 4.1 -12.51 3 4 0 54 264.398 5
Lo Low (pH 4.5-6) 1.44 6.75 -100.72 5 4 2 57 266.414 5

Activity (Go SEA)

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