UCSF

ZINC29020333

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 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) 2.33 5.73 -60.16 3 7 1 102 401.493 5
Hi High (pH 8-9.5) 2.40 4.45 -93.53 0 7 -2 109 398.469 5
Mid Mid (pH 6-8) 2.33 5.36 -47.38 1 7 -1 103 399.477 5
Mid Mid (pH 6-8) 2.33 5.12 -21.67 2 7 0 101 400.485 5
Lo Low (pH 4.5-6) 2.50 5.79 -34.44 2 7 0 104 400.485 4

Activity (Go SEA)

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