UCSF

ZINC36206045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 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) 3.91 9.25 -53.72 3 7 1 89 460.62 11
Hi High (pH 8-9.5) 4.37 6.86 -42.33 2 7 0 92 459.612 11

Activity (Go SEA)

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