UCSF

ZINC39705688

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) 1.01 6.05 -70.52 3 10 1 118 491.59 9
Mid Mid (pH 6-8) 1.01 3.83 -21.65 2 10 0 117 490.582 9

Activity (Go SEA)

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