UCSF

ZINC35815539

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 35 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) 0.58 7.81 -24.04 1 10 0 112 501.609 9
Hi High (pH 8-9.5) 0.40 6.64 -59.03 0 10 -1 118 500.601 9

Activity (Go SEA)

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