UCSF

ZINC45135304

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 14 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) 2.06 6 -28.82 2 2 1 16 197.346 4
Lo Low (pH 4.5-6) 2.06 7.22 -105.65 3 2 2 21 198.354 4
Lo Low (pH 4.5-6) 2.06 5.05 -36.06 2 2 1 20 197.346 4

Activity (Go SEA)

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