UCSF

ZINC04531803

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 23 No

Download: MOL2 SDF SMILES Flexibase

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) 2.04 8.37 -49.05 2 5 1 63 310.377 6
Lo Low (pH 4.5-6) 2.04 8.62 -76.83 3 5 2 65 311.385 6

Activity (Go SEA)

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