UCSF

ZINC35807928

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 36 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) 4.55 10.9 -16.38 0 6 0 55 517.573 8
Mid Mid (pH 6-8) 4.55 13.01 -66.16 1 6 1 56 518.581 8

Activity (Go SEA)

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