UCSF

ZINC36997485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 4.34 9.76 -38.03 2 2 1 26 288.386 6
Mid Mid (pH 6-8) 4.34 8.63 -4.87 1 2 0 21 287.378 6

Activity (Go SEA)

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