UCSF

ZINC75234919

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2012 22 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) 5.03 10.81 -49.92 1 4 -1 69 310.458 12
Lo Low (pH 4.5-6) 5.03 8.83 -11.76 2 4 0 66 311.466 12

Activity (Go SEA)

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