UCSF

ZINC31920720

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 2.50 7.77 -10.48 0 3 0 30 243.697 2
Lo Low (pH 4.5-6) 2.50 8.18 -31.68 1 3 1 31 244.705 2

Activity (Go SEA)

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