UCSF

ZINC36614473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 27 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) 3.02 6.56 -11.61 0 6 0 58 431.389 5
Mid Mid (pH 6-8) 3.02 8.79 -50.9 1 6 1 60 432.397 5

Activity (Go SEA)

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