UCSF

ZINC37088295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.33 4.59 -48.8 2 5 0 83 269.351 6
Mid Mid (pH 6-8) 1.33 3.41 -47.08 1 5 -1 78 268.343 6

Activity (Go SEA)

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