UCSF

ZINC38828340

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 22 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) 3.08 8.34 -9.62 1 5 0 65 319.382 7
Hi High (pH 8-9.5) 3.27 6.66 -44.47 0 5 -1 71 318.374 7

Activity (Go SEA)

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