UCSF

ZINC25146578

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 34 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) 2.63 9.7 -55.22 2 9 1 93 478.499 7
Hi High (pH 8-9.5) 2.63 7.26 -22.43 1 9 0 92 477.491 7

Activity (Go SEA)

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