UCSF

ZINC39850853

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 21 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) 2.45 7.57 -31.8 5 5 1 93 305.427 6
Hi High (pH 8-9.5) 2.45 8.2 -5.59 4 5 0 91 304.419 6

Activity (Go SEA)

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