UCSF

ZINC44721847

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.16 -1.08 -43.18 3 5 1 53 270.397 6
Hi High (pH 8-9.5) -0.16 -2.2 -4.22 2 5 0 48 269.389 6
Mid Mid (pH 6-8) -0.16 2.59 -81.22 4 5 2 50 271.405 6
Mid Mid (pH 6-8) -0.16 4.25 -102.42 4 5 2 58 271.405 6
Mid Mid (pH 6-8) -0.16 3.7 -193.85 5 5 3 55 272.413 6
Mid Mid (pH 6-8) -0.16 0.3 -33.3 3 5 1 49 270.397 6

Activity (Go SEA)

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