UCSF

ZINC31961918

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) -1.08 -3.27 -55.82 5 7 1 96 280.352 5
Mid Mid (pH 6-8) -1.08 -3.66 -18.75 4 7 0 95 279.344 5
Mid Mid (pH 6-8) -1.08 -0.9 -95.64 6 7 2 98 281.36 5

Activity (Go SEA)

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