UCSF

ZINC39696683

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 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) -0.26 2.06 -52.02 3 8 1 91 436.964 4
Mid Mid (pH 6-8) -0.26 4.48 -105.97 4 8 2 93 437.972 4

Activity (Go SEA)

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