UCSF

ZINC00692670

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 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) -0.09 4.2 -15.35 0 10 0 97 447.536 7
Mid Mid (pH 6-8) -0.09 6.48 -54.56 1 10 1 99 448.544 7

Activity (Go SEA)

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