UCSF

ZINC36005186

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 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) 4.98 12.42 -14.4 1 8 0 82 518.658 8
Mid Mid (pH 6-8) 4.98 14.09 -53.88 2 8 1 83 519.666 8

Activity (Go SEA)

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