UCSF

ZINC51952534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 21 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) 1.38 4.97 -40.34 3 4 1 51 288.415 4
Lo Low (pH 4.5-6) 1.38 7.22 -114.48 4 4 2 52 289.423 4

Activity (Go SEA)

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