UCSF

ZINC53221444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 26 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) 2.41 7.01 -37.11 2 6 1 65 359.446 9
Mid Mid (pH 6-8) 2.41 4.82 -9.93 1 6 0 64 358.438 9

Activity (Go SEA)

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