UCSF

ZINC42450722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.98 5.61 -7.01 0 3 0 36 250.386 2
Mid Mid (pH 6-8) 2.98 7.31 -38.59 1 3 1 37 251.394 2

Activity (Go SEA)

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