UCSF

ZINC37979546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 3.60 4.45 -39.01 0 4 -1 61 323.806 3
Mid Mid (pH 6-8) 3.60 4.43 -9.34 1 4 0 59 324.814 3

Activity (Go SEA)

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