UCSF

ZINC39257333

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 12 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) 2.00 3.76 -5.4 0 2 0 27 164.252 0
Lo Low (pH 4.5-6) 2.00 5.89 -38.17 1 2 1 28 165.26 0

Activity (Go SEA)

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