UCSF

ZINC33745724

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 4.02 14.31 -39.32 2 6 1 63 438.64 5
Mid Mid (pH 6-8) 4.02 13.93 -11.91 1 6 0 61 437.632 5

Activity (Go SEA)

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