UCSF

ZINC36359144

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 4.32 5.91 -59.33 2 6 -1 102 486.298 2
Ref Reference (pH 7) 4.14 8.5 -53.6 2 6 -1 98 486.298 2

Activity (Go SEA)

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