UCSF

ZINC00698028

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 5.99 15.01 -11.23 1 6 0 61 522.491 5
Mid Mid (pH 6-8) 5.99 15.34 -37.69 2 6 1 63 523.499 5

Activity (Go SEA)

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