UCSF

ZINC29630171

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 36 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) 4.88 13.6 -14.01 1 6 0 56 482.628 5
Lo Low (pH 4.5-6) 4.88 15.28 -44.1 2 6 1 57 483.636 5

Activity (Go SEA)

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