UCSF

ZINC37102933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 4.14 8.69 -36.01 2 3 1 43 270.437 6
Mid Mid (pH 6-8) 4.14 7.84 -2.8 1 3 0 38 269.429 6

Activity (Go SEA)

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