UCSF

ZINC42775826

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.56 5.7 -33.13 1 3 1 25 227.372 6
Mid Mid (pH 6-8) 1.56 6.42 -37.88 1 3 1 25 227.372 6
Lo Low (pH 4.5-6) 1.56 8.01 -103.59 2 3 2 26 228.38 6

Activity (Go SEA)

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