UCSF

ZINC45966634

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 30 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) 1.50 8.35 -54.19 2 6 1 57 429.507 10
Mid Mid (pH 6-8) 1.50 9.69 -104.46 3 6 2 62 430.515 10

Activity (Go SEA)

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