UCSF

ZINC41513447

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.54 8.01 -39.13 2 5 1 68 337.399 3
Mid Mid (pH 6-8) 2.54 8.78 -28.76 1 5 0 71 336.391 3

Activity (Go SEA)

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