UCSF

ZINC44685138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.43 6.81 -36.66 2 3 1 26 259.373 3
Hi High (pH 8-9.5) 1.43 5.49 -41.97 2 3 1 29 259.373 3
Hi High (pH 8-9.5) 1.43 4.47 -3.77 1 3 0 24 258.365 3

Activity (Go SEA)

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