UCSF

ZINC39855910

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 No

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) 1.02 3.36 -36.92 6 9 1 131 391.496 6
Hi High (pH 8-9.5) 1.02 3.42 -15.56 5 9 0 129 390.488 6
Mid Mid (pH 6-8) 1.02 5.64 -80.44 7 9 2 132 392.504 6

Activity (Go SEA)

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