UCSF

ZINC36618008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 0.91 2.05 -13.77 1 9 0 98 398.467 7
Mid Mid (pH 6-8) 0.91 4.33 -53.54 2 9 1 100 399.475 7

Activity (Go SEA)

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