UCSF

ZINC35283327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 32 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) 2.92 10.42 -77.74 1 7 0 77 437.54 9
Lo Low (pH 4.5-6) 2.92 9.66 -54.31 2 7 1 75 438.548 9

Activity (Go SEA)

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