UCSF

ZINC37319693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 1.06 4.89 -125.34 5 5 2 67 270.421 4
Mid Mid (pH 6-8) 1.06 3.04 -44.39 4 5 1 66 269.413 4
Mid Mid (pH 6-8) 1.06 3.85 -37.93 4 5 1 63 269.413 4

Activity (Go SEA)

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