UCSF

ZINC34669441

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 3.90 10.31 -37.91 1 3 1 21 332.471 4
Mid Mid (pH 6-8) 3.90 10.3 -43.26 1 3 1 21 332.471 4
Mid Mid (pH 6-8) 3.90 8.03 -6.05 0 3 0 19 331.463 4

Activity (Go SEA)

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