UCSF

ZINC25762639

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 22 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) 1.76 5.1 -34.67 2 5 1 50 305.446 6
Hi High (pH 8-9.5) 1.76 2.86 -10.57 1 5 0 48 304.438 6
Lo Low (pH 4.5-6) 1.76 5.47 -87.67 3 5 2 51 306.454 6

Activity (Go SEA)

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