UCSF

ZINC44684918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 2.66 7.51 -33.62 2 2 1 16 251.781 4
Hi High (pH 8-9.5) 2.66 5.17 -2.46 1 2 0 15 250.773 4
Hi High (pH 8-9.5) 2.66 6.39 -43.19 2 2 1 20 251.781 4
Lo Low (pH 4.5-6) 2.66 8.72 -114.7 3 2 2 21 252.789 4

Activity (Go SEA)

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