UCSF

ZINC34667872

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.68 7.34 -11.35 1 6 0 58 366.465 6
Mid Mid (pH 6-8) 2.68 7.66 -34.13 2 6 1 59 367.473 6
Mid Mid (pH 6-8) 2.68 9.56 -44.94 2 6 1 59 367.473 6
Lo Low (pH 4.5-6) 2.68 9.9 -101.13 3 6 2 60 368.481 6

Activity (Go SEA)

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