UCSF

ZINC22702452

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 35 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) 4.34 8.97 -14.3 1 7 0 73 474.557 7
Lo Low (pH 4.5-6) 4.34 11.07 -51.14 2 7 1 74 475.565 7

Activity (Go SEA)

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