UCSF

ZINC25145814

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 37 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) 3.21 10.6 -20.01 1 8 0 84 494.551 5
Lo Low (pH 4.5-6) 3.21 11.02 -51.97 2 8 1 85 495.559 5

Activity (Go SEA)

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