UCSF

ZINC52851326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 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) 3.04 9.78 -8.23 0 3 0 24 318.367 5
Lo Low (pH 4.5-6) 3.04 10.53 -74.28 1 3 0 25 319.375 5

Activity (Go SEA)

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