UCSF

ZINC37126110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.12 5.74 -8.1 2 4 0 50 282.343 4
Lo Low (pH 4.5-6) 3.12 7.28 -33.26 3 4 1 55 283.351 4

Activity (Go SEA)

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