UCSF

ZINC34684311

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 3.47 8.39 -54.15 2 7 1 68 438.479 6
Mid Mid (pH 6-8) 3.47 8.39 -52.82 2 7 1 68 438.479 6
Mid Mid (pH 6-8) 3.47 6.11 -11.36 1 7 0 67 437.471 6

Activity (Go SEA)

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