UCSF

ZINC37043112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) -1.59 3.7 -13.26 3 5 0 73 284.363 3
Mid Mid (pH 6-8) -1.59 4.03 -48.82 4 5 1 75 285.371 3

Activity (Go SEA)

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