UCSF

ZINC43897484

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 1.01 4.02 -113.16 3 4 2 34 257.422 4
Hi High (pH 8-9.5) 1.01 3.97 -34.92 2 4 1 29 256.414 4
Mid Mid (pH 6-8) 1.01 3.11 -33.9 2 4 1 29 256.414 4
Lo Low (pH 4.5-6) 1.01 6.63 -197.17 4 4 3 35 258.43 4
Lo Low (pH 4.5-6) 1.01 4.75 -86.49 3 4 2 34 257.422 4

Activity (Go SEA)

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