UCSF

ZINC35486083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 38 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) 5.76 12.67 -11.79 0 7 0 72 518.654 10
Mid Mid (pH 6-8) 5.76 14.95 -45.62 1 7 1 73 519.662 10

Activity (Go SEA)

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