UCSF

ZINC31978268

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 No

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) 1.56 6.67 -40 1 5 1 43 307.414 7
Hi High (pH 8-9.5) 1.56 4.2 -9.49 0 5 0 42 306.406 7
Mid Mid (pH 6-8) 1.56 6.53 -41.52 1 5 1 43 307.414 7

Activity (Go SEA)

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