UCSF

ZINC36678024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 2.33 4.47 -98.94 5 3 2 56 201.358 8
Mid Mid (pH 6-8) -0.59 5.21 -24.9 5 3 1 56 200.35 8

Activity (Go SEA)

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