UCSF

ZINC43248413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 1.39 4.72 -29.21 3 3 1 40 243.396 6
Hi High (pH 8-9.5) 1.39 2.35 -2.49 2 3 0 38 242.388 6
Mid Mid (pH 6-8) 1.39 2.66 -41.18 3 3 1 40 243.396 6
Mid Mid (pH 6-8) 1.39 5.04 -106.42 4 3 2 41 244.404 6

Activity (Go SEA)

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