UCSF

ZINC54110441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 18 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) 1.14 6.79 -122.45 3 5 2 60 256.346 8
Hi High (pH 8-9.5) 1.14 3.11 -5.39 1 5 0 55 254.33 8
Mid Mid (pH 6-8) 1.14 5.43 -38.95 2 5 1 56 255.338 8
Mid Mid (pH 6-8) 1.14 4.48 -46.48 2 5 1 59 255.338 8

Activity (Go SEA)

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