UCSF

ZINC33809236

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 22 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) 3.41 6.3 -7.35 0 4 0 31 309.45 11
Mid Mid (pH 6-8) 3.41 8.79 -34.6 1 4 1 32 310.458 11

Activity (Go SEA)

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