UCSF

ZINC42580215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.85 4.84 -100.84 4 3 2 41 230.396 6
Hi High (pH 8-9.5) 1.85 2.42 -38.26 3 3 1 40 229.388 6
Mid Mid (pH 6-8) 1.85 5.39 -41 3 3 1 44 229.388 6

Activity (Go SEA)

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