UCSF

ZINC69349946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 24 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) 1.97 5.66 -100.85 4 5 2 67 348.516 7
Hi High (pH 8-9.5) 1.97 4.42 -37.26 3 5 1 62 347.508 7

Activity (Go SEA)

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