UCSF

ZINC08918596

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 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) 3.90 -2.65 -13.22 2 7 0 89 438.487 6
Lo Low (pH 4.5-6) 3.90 -2.54 -43.07 3 7 1 90 439.495 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.