UCSF

ZINC42169446

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) 2.12 6.43 -86.67 3 4 2 41 253.39 2
Mid Mid (pH 6-8) 2.12 4.17 -34.29 2 4 1 40 252.382 2

Activity (Go SEA)

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