UCSF

ZINC35815385

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 33 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) 3.08 10.17 -19.87 1 8 0 92 472.611 12
Hi High (pH 8-9.5) 2.90 9 -53.51 0 8 -1 98 471.603 12

Activity (Go SEA)

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