UCSF

ZINC31975532

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.98 9.28 -60.53 3 3 1 45 288.374 2
Hi High (pH 8-9.5) 3.98 8.97 -12.95 2 3 0 43 287.366 2
Lo Low (pH 4.5-6) 3.98 9.71 -108.22 4 3 2 46 289.382 2

Activity (Go SEA)

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