UCSF

ZINC42428379

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) 0.32 4.29 -85.83 4 4 2 50 238.379 6
Hi High (pH 8-9.5) 0.32 5.59 -44.19 3 4 1 48 237.371 6
Mid Mid (pH 6-8) 0.32 3.82 -51.03 3 4 1 49 237.371 6
Mid Mid (pH 6-8) 0.32 5.99 -137.85 4 4 2 50 238.379 6
Lo Low (pH 4.5-6) 0.32 6.2 -193.57 5 4 3 51 239.387 6

Activity (Go SEA)

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