UCSF

ZINC35456993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 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) 3.07 8.02 -13.19 0 6 0 53 387.524 6
Mid Mid (pH 6-8) 3.07 10.23 -48.57 1 6 1 54 388.532 6

Activity (Go SEA)

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