UCSF

ZINC34334574

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 22 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) 2.55 5.09 -52 0 6 -1 87 343.381 7
Mid Mid (pH 6-8) 3.48 5.43 -19.8 1 6 0 89 344.389 6

Activity (Go SEA)

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