UCSF

ZINC24760168

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 26 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) 2.81 7.96 -43.16 3 6 1 76 373.502 6
Hi High (pH 8-9.5) 2.63 6.89 -42.77 2 6 0 82 372.494 6

Activity (Go SEA)

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