UCSF

ZINC58338274

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 27 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) 3.17 8.64 -12.96 1 6 0 75 385.489 7
Mid Mid (pH 6-8) 3.17 10.1 -56.2 2 6 1 76 386.497 7

Activity (Go SEA)

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