UCSF

ZINC07997983

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 25 Yes

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) 3.05 5.04 -48.45 3 5 -1 101 353.479 12
Lo Low (pH 4.5-6) 3.05 3.07 -11.23 4 5 0 98 354.487 12

Activity (Go SEA)

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