UCSF

ZINC31972427

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 0.29 1.94 -52.64 2 7 -1 108 277.256 4
Lo Low (pH 4.5-6) 0.29 0.82 -16.55 3 7 0 105 278.264 4

Activity (Go SEA)

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