UCSF

ZINC36611509

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) 4.85 7.59 -16.67 1 6 0 77 439.39 5
Mid Mid (pH 6-8) 5.30 5.74 -52.02 0 6 -1 80 438.382 5

Activity (Go SEA)

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