UCSF

ZINC37052179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.21 6.09 -12.54 2 4 0 70 263.3 2
Mid Mid (pH 6-8) -0.21 6.4 -49.47 3 4 1 72 264.308 2

Activity (Go SEA)

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