UCSF

ZINC20047940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 1.77 4.62 -37.65 3 4 1 46 256.414 8
Hi High (pH 8-9.5) 1.77 2.54 -7.43 2 4 0 44 255.406 8
Mid Mid (pH 6-8) 1.77 6.03 -106.65 4 4 2 50 257.422 8
Mid Mid (pH 6-8) 1.77 3.81 -44.17 3 4 1 49 256.414 8

Activity (Go SEA)

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