UCSF

ZINC55724253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.29 8.24 -13.23 1 6 0 64 367.449 6
Mid Mid (pH 6-8) 3.29 8.59 -43.7 2 6 1 65 368.457 6

Activity (Go SEA)

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