UCSF

ZINC37326559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 No

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) 1.31 4.05 -43.16 0 7 -1 106 303.341 3
Mid Mid (pH 6-8) 1.31 3.07 -13.53 1 7 0 103 304.349 3

Activity (Go SEA)

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