UCSF

ZINC34476581

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 31 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) 5.60 13.56 -63.39 1 5 -1 82 439.601 9
Lo Low (pH 4.5-6) 5.60 11.48 -17.53 2 5 0 79 440.609 9

Activity (Go SEA)

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