UCSF

ZINC44839448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 No

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) 0.09 -0.73 -7.18 3 5 0 70 273.402 5
Lo Low (pH 4.5-6) 0.09 1.91 -49.98 4 5 1 71 274.41 5

Activity (Go SEA)

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