UCSF

ZINC42428075

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 1.18 3.66 -32.28 2 4 1 35 233.376 12
Hi High (pH 8-9.5) 1.18 1.28 -3.85 1 4 0 34 232.368 12
Mid Mid (pH 6-8) 1.18 5.06 -105.46 3 4 2 40 234.384 12

Activity (Go SEA)

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