UCSF

ZINC40025613

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 29 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) 5.18 12.16 -60.07 0 4 -1 60 388.487 6
Lo Low (pH 4.5-6) 5.18 11.41 -11.19 1 4 0 58 389.495 6

Activity (Go SEA)

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