UCSF

ZINC36807970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) -0.32 4.76 -42.78 3 6 0 99 285.369 7
Mid Mid (pH 6-8) -0.50 3.54 -51.26 2 6 -1 105 284.361 7

Activity (Go SEA)

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