UCSF

ZINC04155312

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 23 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) 6.08 -1.78 -4.86 1 3 0 29 376.342 3
Mid Mid (pH 6-8) 6.08 -1.61 -25.16 2 3 1 30 377.35 3

Activity (Go SEA)

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