UCSF

ZINC48363676

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 29 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) 2.04 11.87 -44.62 1 6 1 50 393.511 4
Mid Mid (pH 6-8) 2.04 10.15 -12.79 0 6 0 49 392.503 4

Activity (Go SEA)

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