UCSF

ZINC35834434

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 0.27 4.97 -17.21 1 9 0 91 424.505 5
Mid Mid (pH 6-8) 0.27 7.32 -54.19 2 9 1 92 425.513 5

Activity (Go SEA)

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