UCSF

ZINC40187451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 Yes

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) 3.44 10.2 -14.27 1 6 0 73 365.433 6
Lo Low (pH 4.5-6) 3.44 10.75 -35.71 2 6 1 74 366.441 6

Activity (Go SEA)

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