UCSF

ZINC31910047

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 2.32 6.63 -42.89 3 5 1 51 302.446 4
Mid Mid (pH 6-8) 2.32 4.32 -9.87 2 5 0 50 301.438 4
Mid Mid (pH 6-8) 2.32 6.62 -41.29 3 5 1 51 302.446 4
Mid Mid (pH 6-8) 2.32 7.08 -75.42 4 5 2 52 303.454 4

Activity (Go SEA)

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