UCSF

ZINC36150629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.93 5.82 -10.01 0 6 0 65 307.346 9
Mid Mid (pH 6-8) 1.93 8 -41.87 1 6 1 66 308.354 9

Activity (Go SEA)

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