UCSF

ZINC40076128

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 25 No

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) 2.58 8.16 -61.8 0 5 -1 73 335.383 6
Lo Low (pH 4.5-6) 2.58 7.4 -14.89 1 5 0 71 336.391 6

Activity (Go SEA)

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