UCSF

ZINC31829330

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 19 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) 2.99 4.94 -46.96 3 3 1 40 263.405 4
Mid Mid (pH 6-8) 2.99 7.11 -38.93 3 3 1 40 263.405 4
Mid Mid (pH 6-8) 2.99 7.36 -117.44 4 3 2 41 264.413 4

Activity (Go SEA)

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