UCSF

ZINC35437039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.43 7 -11.46 0 8 0 79 405.543 12
Mid Mid (pH 6-8) 1.43 9.26 -42.01 1 8 1 80 406.551 12

Activity (Go SEA)

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