UCSF

ZINC45655274

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.70 8.78 -32.33 2 2 1 16 261.433 5
Lo Low (pH 4.5-6) 3.70 9.74 -115.3 3 2 2 21 262.441 5
Lo Low (pH 4.5-6) 3.70 7.28 -40.96 2 2 1 20 261.433 5

Activity (Go SEA)

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