UCSF

ZINC36381103

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 21 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) 3.73 1.47 -12.24 3 4 0 74 279.295 2
Lo Low (pH 4.5-6) 3.73 1.91 -35.88 4 4 1 75 280.303 2

Activity (Go SEA)

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