UCSF

ZINC38096009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 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) 1.03 4.92 -30.7 2 3 1 26 225.356 4
Mid Mid (pH 6-8) 1.03 5.85 -103.4 3 3 2 30 226.364 4

Activity (Go SEA)

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