UCSF

ZINC71805769

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2012 27 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) 3.59 12.45 -37.42 1 4 1 34 367.513 9
Hi High (pH 8-9.5) 3.59 10.26 -10.03 0 4 0 33 366.505 9

Activity (Go SEA)

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