UCSF

ZINC36613102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 30 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) 1.37 8.63 -11.96 0 7 0 67 404.518 6
Mid Mid (pH 6-8) 1.37 10.85 -56.41 1 7 1 68 405.526 6

Activity (Go SEA)

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