UCSF

ZINC42915892

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.54 7.72 -52.97 3 3 1 45 284.358 3
Hi High (pH 8-9.5) 2.54 7.44 -9.11 2 3 0 44 283.35 3
Mid Mid (pH 6-8) 2.54 8.13 -105.75 4 3 2 47 285.366 3

Activity (Go SEA)

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