UCSF

ZINC39709899

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 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) 2.42 6.95 -37.99 1 2 1 8 255.332 3
Lo Low (pH 4.5-6) 2.42 9.23 -104.91 2 2 2 9 256.34 3

Activity (Go SEA)

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