UCSF

ZINC36359774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 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) 2.25 6.14 -12.79 1 6 0 60 353.422 6
Mid Mid (pH 6-8) 2.25 8.41 -51.53 2 6 1 61 354.43 6

Activity (Go SEA)

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