UCSF

ZINC59785717

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 20 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) 3.38 6.05 -3.93 0 3 0 22 273.376 1
Lo Low (pH 4.5-6) 3.38 7.84 -38.62 1 3 1 23 274.384 1

Activity (Go SEA)

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