UCSF

ZINC37076323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.78 5.75 -32.93 2 4 1 52 270.374 6
Mid Mid (pH 6-8) 1.78 4.87 -5.61 1 4 0 48 269.366 6

Activity (Go SEA)

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