UCSF

ZINC41195472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 2.92 7.49 -36.73 2 2 1 29 269.459 4
Mid Mid (pH 6-8) 2.92 5.92 -6.12 1 2 0 25 268.451 4

Activity (Go SEA)

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