UCSF

ZINC35475666

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) 2.90 7.63 -12.54 1 6 0 60 381.476 6
Mid Mid (pH 6-8) 2.90 9.89 -52.35 2 6 1 61 382.484 6

Activity (Go SEA)

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