UCSF

ZINC40111514

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 No

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) 3.01 6.82 -59.36 0 9 -1 116 513.592 9
Lo Low (pH 4.5-6) 3.01 5.94 -17.1 1 9 0 113 514.6 9

Activity (Go SEA)

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