UCSF

ZINC62456030

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.09 3.85 -44.09 1 6 1 60 323.479 9
Mid Mid (pH 6-8) 1.09 2.19 -10.1 0 6 0 59 322.471 9

Activity (Go SEA)

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