UCSF

ZINC36614788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 2.76 4.58 -11.87 0 6 0 58 425.288 5
Mid Mid (pH 6-8) 2.76 6.8 -49.89 1 6 1 60 426.296 5

Activity (Go SEA)

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