UCSF

ZINC34829900

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 4.28 12.91 -16.99 0 6 0 53 521.658 6
Mid Mid (pH 6-8) 4.28 14.61 -54.81 1 6 1 54 522.666 6

Activity (Go SEA)

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