UCSF

ZINC35600826

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 22 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) 2.49 5.43 -109.35 0 6 -2 105 317.322 5
Mid Mid (pH 6-8) 2.49 5.37 -51.76 1 6 -1 103 318.33 5

Activity (Go SEA)

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