UCSF

ZINC31903631

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 5.32 10.64 -13.93 1 5 0 57 422.912 8
Lo Low (pH 4.5-6) 5.32 11.06 -33.76 2 5 1 58 423.92 8

Activity (Go SEA)

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