UCSF

ZINC40185105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.70 12.59 -16.09 1 6 0 69 450.542 8
Mid Mid (pH 6-8) 4.70 13.15 -34.37 2 6 1 70 451.55 8

Activity (Go SEA)

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