UCSF

ZINC36889913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 No

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) 4.01 7.97 -16.23 0 5 0 86 268.248 4
Mid Mid (pH 6-8) 2.81 10.81 -27.08 0 5 0 80 269.256 5

Activity (Go SEA)

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