UCSF

ZINC44691561

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.88 6.8 -32.31 2 3 1 26 255.426 7
Lo Low (pH 4.5-6) 2.88 5.6 -33.16 2 3 1 29 255.426 7
Lo Low (pH 4.5-6) 2.88 7.86 -99.15 3 3 2 30 256.434 7

Activity (Go SEA)

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