UCSF

ZINC35807553

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 32 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) 6.44 15.91 -9.74 0 5 0 49 436.644 8
Mid Mid (pH 6-8) 6.44 16.23 -33.83 1 5 1 51 437.652 8

Activity (Go SEA)

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