UCSF

ZINC20830259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 21 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) 3.71 6.14 -10.49 1 4 0 45 386.34 3
Hi High (pH 8-9.5) 3.78 4.95 -41.6 0 4 -1 52 385.332 3
Mid Mid (pH 6-8) 3.71 8.35 -42.53 2 4 1 46 387.348 3

Activity (Go SEA)

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