UCSF

ZINC24887030

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 23 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) 1.79 6.85 -44.92 2 4 1 46 311.453 7
Lo Low (pH 4.5-6) 1.79 7.24 -85.64 3 4 2 47 312.461 7
Lo Low (pH 4.5-6) 1.79 9.2 -113.49 3 4 2 47 312.461 7

Activity (Go SEA)

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