UCSF

ZINC33820947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 27 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) 4.63 13.11 -51.4 0 3 -1 57 371.541 4
Lo Low (pH 4.5-6) 4.63 11.13 -9.13 1 3 0 54 372.549 4

Activity (Go SEA)

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