UCSF

ZINC53629599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 No

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) 2.53 8.29 -38.36 3 4 1 59 343.259 4
Mid Mid (pH 6-8) 2.53 7.82 -11.66 2 4 0 58 342.251 4

Activity (Go SEA)

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