UCSF

ZINC42580727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 2.99 6.73 -31.6 2 2 1 16 225.4 4
Lo Low (pH 4.5-6) 2.99 7.91 -108.23 3 2 2 21 226.408 4
Lo Low (pH 4.5-6) 2.99 5.48 -35.58 2 2 1 20 225.4 4

Activity (Go SEA)

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