UCSF

ZINC60830601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2011 22 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) 3.36 9.64 -49.27 3 3 1 46 297.422 5
Mid Mid (pH 6-8) 3.36 8.29 -9.47 2 3 0 41 296.414 5

Activity (Go SEA)

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