UCSF

ZINC39699962

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 34 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) 1.48 2.16 -23.55 3 10 0 126 490.582 11
Mid Mid (pH 6-8) 1.48 4.45 -59.26 4 10 1 127 491.59 11

Activity (Go SEA)

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