UCSF

ZINC45966752

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 28 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) 1.43 8.42 -40.76 2 6 1 57 452.417 7
Mid Mid (pH 6-8) 1.43 9.72 -93.3 3 6 2 62 453.425 7

Activity (Go SEA)

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