UCSF

ZINC45545319

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2010 27 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) 1.71 6.76 -86.78 3 8 2 76 394.545 7
Mid Mid (pH 6-8) 1.71 9.21 -103.69 3 8 2 76 394.545 7

Activity (Go SEA)

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